REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xa7_1_B DATA FIRST_RESID 4 DATA SEQUENCE SKYFTTNKKG EIFELKAELN NEKKEKRKEA VKKVIAAMTV GKDVSSLFPD DATA SEQUENCE VVNCMQTDNL ELKKLVYLYL MNYAKSQPDM AIMAVNSFVK DCEDPNPLIR DATA SEQUENCE ALAVRTMGCI RVDKITEYLC EPLRKCLKDE DPYVRKTAAV CVAKLHDINA DATA SEQUENCE QMVEDQGFLD SLRDLIADSN PMVVANAVAA LSEISESHPN SNLLDLNPQN DATA SEQUENCE INKLLTALNE CTEWGQIFIL DCLSNYNPKD DREAQSICER VTPRLSHANS DATA SEQUENCE AVVLSAVKVL MKFLELLPKD SDYYNMLLKK LAPPLVTLLS GEPEVQYVAL DATA SEQUENCE RNINLIVQKR PEILKQEIKV FFVKYNDPIY VKLEKLDIMI RLASQANIAQ DATA SEQUENCE VLAELKEYAT EVDVDFVRKA VRAIGRCAIK VEQSAERCVS TLLDLIQTKV DATA SEQUENCE NYVVQEAIVV IRDIFRKYPN KYESIIATLC ENLDSLDEPD ARAAMIWIVG DATA SEQUENCE EYAERIDNAD ELLESFLEGF HDESTQVQLT LLTAIVKLFL KKPSETQELV DATA SEQUENCE QQVLSLATQD SDNPDLRDRG YIYWRLLSTD PVTAKEVVLS EKPLISEETD DATA SEQUENCE LIEPTLLDEL ICHIGSLASV YHKPPNAFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.487 174.600 -0.189 0.000 1.055 4 S CA 0.000 58.104 58.200 -0.159 0.000 1.107 4 S CB 0.000 63.140 63.200 -0.100 0.000 0.593 5 K N 1.211 121.427 120.400 -0.308 0.000 3.548 5 K HA -0.129 4.189 4.320 -0.004 0.000 0.316 5 K C -0.642 175.692 176.600 -0.444 0.000 1.177 5 K CA 0.864 56.909 56.287 -0.403 0.000 0.894 5 K CB -2.570 29.760 32.500 -0.283 0.000 1.392 5 K HN 0.815 nan 8.250 nan 0.000 0.451 6 Y N -2.013 118.026 120.300 -0.435 0.000 2.568 6 Y HA 0.717 5.265 4.550 -0.003 0.000 0.327 6 Y C 0.737 176.249 175.900 -0.646 0.000 1.163 6 Y CA -1.165 56.676 58.100 -0.433 0.000 1.219 6 Y CB 0.786 39.153 38.460 -0.155 0.000 1.308 6 Y HN -0.055 nan 8.280 nan 0.000 0.503 7 F N -0.566 119.642 119.950 0.430 0.000 2.444 7 F HA 0.172 4.697 4.527 -0.003 0.000 0.263 7 F C 1.510 177.379 175.800 0.114 0.000 0.912 7 F CA 0.945 59.098 58.000 0.255 0.000 1.122 7 F CB -0.558 38.508 39.000 0.110 0.000 1.246 7 F HN 0.864 nan 8.300 nan 0.000 0.752 8 T N -1.388 113.283 114.554 0.196 0.000 14.105 8 T HA -0.398 3.950 4.350 -0.004 0.000 0.419 8 T C 0.664 175.387 174.700 0.039 0.000 1.441 8 T CA 0.864 62.971 62.100 0.011 0.000 2.334 8 T CB -2.240 66.504 68.868 -0.207 0.000 2.761 8 T HN 1.103 nan 8.240 nan 0.000 0.290 9 T N 1.744 116.297 114.554 -0.001 0.000 0.541 9 T HA -0.021 4.327 4.350 -0.004 0.000 0.774 9 T C -0.560 174.153 174.700 0.022 0.000 0.992 9 T CA 1.928 64.040 62.100 0.019 0.000 4.077 9 T CB -1.175 67.721 68.868 0.047 0.000 2.303 9 T HN 2.488 nan 8.240 nan 0.000 0.398 10 N N 2.139 120.853 118.700 0.023 0.000 2.516 10 N HA 0.595 5.333 4.740 -0.004 0.000 0.268 10 N C -1.079 174.445 175.510 0.023 0.000 1.096 10 N CA -0.478 52.586 53.050 0.023 0.000 0.954 10 N CB 2.148 40.647 38.487 0.019 0.000 1.676 10 N HN 1.170 nan 8.380 nan 0.000 0.490 11 K N 0.623 121.038 120.400 0.025 0.000 6.292 11 K HA -0.065 4.253 4.320 -0.004 0.000 0.826 11 K C -0.272 176.342 176.600 0.022 0.000 0.890 11 K CA -0.026 56.274 56.287 0.022 0.000 1.076 11 K CB -0.319 32.192 32.500 0.018 0.000 2.078 11 K HN 0.676 nan 8.250 nan 0.000 1.049 12 K N -1.335 119.074 120.400 0.015 0.000 9.127 12 K HA -0.307 4.011 4.320 -0.004 0.000 0.501 12 K C 0.449 177.053 176.600 0.007 0.000 0.371 12 K CA 2.639 58.932 56.287 0.009 0.000 1.951 12 K CB -1.339 31.168 32.500 0.012 0.000 0.721 12 K HN 1.050 nan 8.250 nan 0.000 1.023 13 G N -0.084 108.731 108.800 0.024 0.000 3.584 13 G HA2 0.000 3.958 3.960 -0.004 0.000 0.223 13 G HA3 0.000 3.958 3.960 -0.004 0.000 0.223 13 G C -0.253 174.699 174.900 0.087 0.000 0.932 13 G CA 0.378 45.501 45.100 0.038 0.000 1.111 13 G HN 0.260 nan 8.290 nan 0.000 0.689 14 E N 0.228 120.467 120.200 0.065 0.000 2.512 14 E HA 0.227 4.575 4.350 -0.004 0.000 0.195 14 E C 2.107 178.739 176.600 0.053 0.000 1.083 14 E CA 0.060 56.499 56.400 0.064 0.000 0.873 14 E CB 0.118 29.842 29.700 0.040 0.000 0.897 14 E HN 0.626 nan 8.360 nan 0.000 0.514 15 I N -0.394 120.219 120.570 0.071 0.000 2.406 15 I HA -0.187 3.981 4.170 -0.004 0.000 0.249 15 I C 1.505 177.661 176.117 0.066 0.000 1.122 15 I CA 0.947 62.276 61.300 0.048 0.000 1.431 15 I CB -0.033 38.001 38.000 0.056 0.000 1.087 15 I HN 0.171 nan 8.210 nan 0.000 0.424 16 F N 2.090 122.026 119.950 -0.023 0.000 2.098 16 F HA -0.211 4.313 4.527 -0.004 0.000 0.294 16 F C 2.396 178.180 175.800 -0.027 0.000 1.107 16 F CA 1.812 59.799 58.000 -0.022 0.000 1.234 16 F CB -0.132 38.860 39.000 -0.013 0.000 1.002 16 F HN 0.009 nan 8.300 nan 0.000 0.472 17 E N 0.479 120.803 120.200 0.207 0.000 2.097 17 E HA -0.210 4.138 4.350 -0.004 0.000 0.196 17 E C 2.307 178.894 176.600 -0.023 0.000 1.000 17 E CA 1.001 57.454 56.400 0.088 0.000 0.804 17 E CB -0.649 29.102 29.700 0.085 0.000 0.740 17 E HN 0.283 nan 8.360 nan 0.000 0.454 18 L N 0.544 121.745 121.223 -0.036 0.000 2.043 18 L HA -0.256 4.082 4.340 -0.004 0.000 0.212 18 L C 2.318 179.102 176.870 -0.143 0.000 1.075 18 L CA 1.829 56.613 54.840 -0.093 0.000 0.752 18 L CB -0.734 41.268 42.059 -0.095 0.000 0.891 18 L HN 0.224 nan 8.230 nan 0.000 0.432 19 K N -0.720 119.567 120.400 -0.187 0.000 2.009 19 K HA -0.197 4.121 4.320 -0.004 0.000 0.210 19 K C 2.101 178.565 176.600 -0.227 0.000 1.049 19 K CA 1.511 57.649 56.287 -0.248 0.000 0.929 19 K CB -0.047 32.221 32.500 -0.386 0.000 0.714 19 K HN 0.313 nan 8.250 nan 0.000 0.440 20 A N 2.145 124.820 122.820 -0.241 0.000 1.859 20 A HA -0.293 4.025 4.320 -0.004 0.000 0.218 20 A C 1.958 179.481 177.584 -0.102 0.000 1.209 20 A CA 2.408 54.352 52.037 -0.154 0.000 0.639 20 A CB -0.887 18.066 19.000 -0.080 0.000 0.835 20 A HN 0.692 nan 8.150 nan 0.000 0.450 21 E N -0.373 119.774 120.200 -0.087 0.000 2.285 21 E HA -0.014 4.334 4.350 -0.004 0.000 0.194 21 E C 1.931 178.475 176.600 -0.094 0.000 0.997 21 E CA 0.690 57.045 56.400 -0.076 0.000 0.845 21 E CB -0.397 29.265 29.700 -0.064 0.000 0.782 21 E HN 0.572 nan 8.360 nan 0.000 0.491 22 L N 1.293 122.445 121.223 -0.119 0.000 2.261 22 L HA -0.084 4.254 4.340 -0.004 0.000 0.216 22 L C 0.860 177.667 176.870 -0.105 0.000 1.114 22 L CA 0.799 55.562 54.840 -0.128 0.000 0.777 22 L CB -0.154 41.809 42.059 -0.159 0.000 0.910 22 L HN 0.184 nan 8.230 nan 0.000 0.440 23 N N 0.768 119.410 118.700 -0.097 0.000 2.994 23 N HA 0.061 4.799 4.740 -0.004 0.000 0.306 23 N C -0.497 174.979 175.510 -0.057 0.000 1.348 23 N CA -0.029 52.976 53.050 -0.075 0.000 1.109 23 N CB 0.093 38.534 38.487 -0.077 0.000 1.415 23 N HN 0.293 nan 8.380 nan 0.000 0.529 24 N N 0.940 119.608 118.700 -0.053 0.000 2.477 24 N HA 0.069 4.806 4.740 -0.004 0.000 0.284 24 N C 1.143 176.635 175.510 -0.031 0.000 1.182 24 N CA -0.127 52.899 53.050 -0.040 0.000 0.949 24 N CB 1.655 40.118 38.487 -0.040 0.000 1.204 24 N HN 0.325 nan 8.380 nan 0.000 0.526 25 E N 0.617 120.803 120.200 -0.023 0.000 2.033 25 E HA -0.069 4.279 4.350 -0.004 0.000 0.189 25 E C 0.041 176.631 176.600 -0.017 0.000 0.979 25 E CA 0.733 57.122 56.400 -0.018 0.000 0.802 25 E CB -0.034 29.658 29.700 -0.013 0.000 0.763 25 E HN 0.147 nan 8.360 nan 0.000 0.449 26 K N 2.107 122.497 120.400 -0.016 0.000 2.378 26 K HA -0.003 4.315 4.320 -0.004 0.000 0.288 26 K C 0.223 176.812 176.600 -0.019 0.000 1.057 26 K CA -0.087 56.192 56.287 -0.014 0.000 0.971 26 K CB 0.788 33.282 32.500 -0.010 0.000 0.975 26 K HN 0.106 nan 8.250 nan 0.000 0.475 27 K N 1.890 122.279 120.400 -0.018 0.000 2.442 27 K HA -0.189 4.129 4.320 -0.004 0.000 0.200 27 K C 1.070 177.657 176.600 -0.023 0.000 1.045 27 K CA 1.222 57.496 56.287 -0.023 0.000 0.937 27 K CB 0.029 32.517 32.500 -0.020 0.000 0.757 27 K HN 0.468 nan 8.250 nan 0.000 0.474 28 E N 1.686 121.876 120.200 -0.015 0.000 2.051 28 E HA -0.013 4.335 4.350 -0.004 0.000 0.189 28 E C 1.618 178.210 176.600 -0.014 0.000 0.979 28 E CA 1.106 57.501 56.400 -0.008 0.000 0.803 28 E CB 0.018 29.720 29.700 0.003 0.000 0.761 28 E HN 0.317 nan 8.360 nan 0.000 0.451 29 K N -0.033 120.354 120.400 -0.021 0.000 2.147 29 K HA -0.079 4.239 4.320 -0.004 0.000 0.205 29 K C 2.180 178.742 176.600 -0.065 0.000 1.049 29 K CA 0.871 57.137 56.287 -0.034 0.000 0.936 29 K CB 0.060 32.543 32.500 -0.028 0.000 0.722 29 K HN -0.012 nan 8.250 nan 0.000 0.446 30 R N 0.514 120.977 120.500 -0.063 0.000 2.062 30 R HA -0.125 4.213 4.340 -0.004 0.000 0.231 30 R C 2.341 178.585 176.300 -0.094 0.000 1.136 30 R CA 1.552 57.603 56.100 -0.082 0.000 0.948 30 R CB -0.212 30.048 30.300 -0.066 0.000 0.845 30 R HN 0.065 nan 8.270 nan 0.000 0.430 31 K N 1.041 121.401 120.400 -0.067 0.000 2.001 31 K HA -0.216 4.102 4.320 -0.004 0.000 0.214 31 K C 1.904 178.447 176.600 -0.096 0.000 1.050 31 K CA 1.794 58.044 56.287 -0.062 0.000 0.934 31 K CB 0.022 32.508 32.500 -0.024 0.000 0.718 31 K HN 0.036 nan 8.250 nan 0.000 0.443 32 E N 0.261 120.409 120.200 -0.087 0.000 2.160 32 E HA -0.214 4.134 4.350 -0.004 0.000 0.195 32 E C 1.878 178.235 176.600 -0.405 0.000 0.991 32 E CA 1.155 57.444 56.400 -0.184 0.000 0.810 32 E CB -0.271 29.407 29.700 -0.037 0.000 0.742 32 E HN 0.488 nan 8.360 nan 0.000 0.466 33 A N 1.165 123.831 122.820 -0.257 0.000 1.824 33 A HA -0.161 4.157 4.320 -0.004 0.000 0.215 33 A C 2.611 180.028 177.584 -0.278 0.000 1.209 33 A CA 1.758 53.639 52.037 -0.261 0.000 0.614 33 A CB -1.051 17.838 19.000 -0.184 0.000 0.852 33 A HN 0.106 nan 8.150 nan 0.000 0.447 34 V N 0.547 120.329 119.914 -0.221 0.000 2.257 34 V HA -0.439 3.679 4.120 -0.004 0.000 0.257 34 V C 2.501 178.478 176.094 -0.195 0.000 1.077 34 V CA 2.817 64.994 62.300 -0.206 0.000 1.063 34 V CB -1.034 30.700 31.823 -0.148 0.000 0.664 34 V HN 0.601 nan 8.190 nan 0.000 0.450 35 K N -0.228 120.047 120.400 -0.209 0.000 2.009 35 K HA -0.230 4.088 4.320 -0.004 0.000 0.210 35 K C 2.257 178.678 176.600 -0.299 0.000 1.049 35 K CA 1.869 58.048 56.287 -0.180 0.000 0.929 35 K CB -0.322 32.130 32.500 -0.079 0.000 0.714 35 K HN 0.467 nan 8.250 nan 0.000 0.440 36 K N 0.632 120.652 120.400 -0.633 0.000 2.044 36 K HA -0.176 4.142 4.320 -0.004 0.000 0.210 36 K C 2.146 178.637 176.600 -0.182 0.000 1.049 36 K CA 1.555 57.567 56.287 -0.458 0.000 0.927 36 K CB -0.399 31.821 32.500 -0.467 0.000 0.713 36 K HN -0.047 nan 8.250 nan 0.000 0.443 37 V N 1.693 121.486 119.914 -0.200 0.000 2.214 37 V HA -0.307 3.811 4.120 -0.004 0.000 0.247 37 V C 2.227 178.280 176.094 -0.069 0.000 1.051 37 V CA 2.038 64.241 62.300 -0.162 0.000 1.003 37 V CB -0.391 31.264 31.823 -0.281 0.000 0.635 37 V HN 0.218 nan 8.190 nan 0.000 0.447 38 I N 0.376 120.919 120.570 -0.045 0.000 2.145 38 I HA -0.315 3.853 4.170 -0.004 0.000 0.244 38 I C 2.555 178.710 176.117 0.065 0.000 1.075 38 I CA 1.970 63.299 61.300 0.048 0.000 1.332 38 I CB -0.849 37.188 38.000 0.061 0.000 1.033 38 I HN 0.294 nan 8.210 nan 0.000 0.410 39 A N 0.272 123.128 122.820 0.060 0.000 1.873 39 A HA -0.262 4.056 4.320 -0.004 0.000 0.218 39 A C 2.474 180.093 177.584 0.058 0.000 1.193 39 A CA 2.451 54.538 52.037 0.084 0.000 0.629 39 A CB -1.244 17.842 19.000 0.144 0.000 0.826 39 A HN 0.456 nan 8.150 nan 0.000 0.447 40 A N -1.411 121.434 122.820 0.041 0.000 2.066 40 A HA 0.056 4.374 4.320 -0.004 0.000 0.218 40 A C 2.167 179.792 177.584 0.069 0.000 1.157 40 A CA 1.506 53.568 52.037 0.041 0.000 0.670 40 A CB -0.455 18.558 19.000 0.021 0.000 0.804 40 A HN 0.627 nan 8.150 nan 0.000 0.453 41 M N -0.767 118.890 119.600 0.095 0.000 2.156 41 M HA -0.111 4.367 4.480 -0.004 0.000 0.264 41 M C 1.998 178.376 176.300 0.131 0.000 1.067 41 M CA 2.056 57.454 55.300 0.164 0.000 1.131 41 M CB -0.336 32.408 32.600 0.240 0.000 1.368 41 M HN 0.381 nan 8.290 nan 0.000 0.416 42 T N 0.894 115.506 114.554 0.098 0.000 2.746 42 T HA -0.128 4.220 4.350 -0.004 0.000 0.267 42 T C 1.731 176.461 174.700 0.050 0.000 1.039 42 T CA 1.892 64.034 62.100 0.069 0.000 1.142 42 T CB -0.696 68.208 68.868 0.060 0.000 0.866 42 T HN 0.537 nan 8.240 nan 0.000 0.444 43 V N -0.360 119.580 119.914 0.043 0.000 2.594 43 V HA 0.198 4.316 4.120 -0.004 0.000 0.253 43 V C 1.822 177.937 176.094 0.036 0.000 1.069 43 V CA 1.874 64.191 62.300 0.028 0.000 1.082 43 V CB -0.936 30.896 31.823 0.015 0.000 0.680 43 V HN 0.644 nan 8.190 nan 0.000 0.469 44 G N -1.193 107.640 108.800 0.055 0.000 2.551 44 G HA2 -0.135 3.822 3.960 -0.004 0.000 0.186 44 G HA3 -0.135 3.822 3.960 -0.004 0.000 0.186 44 G C 0.226 175.174 174.900 0.079 0.000 1.002 44 G CA -0.063 45.073 45.100 0.060 0.000 0.723 44 G HN 0.501 nan 8.290 nan 0.000 0.481 45 K N 1.205 121.652 120.400 0.078 0.000 2.542 45 K HA 0.116 4.434 4.320 -0.004 0.000 0.276 45 K C -0.415 176.263 176.600 0.129 0.000 0.963 45 K CA 0.222 56.559 56.287 0.083 0.000 0.975 45 K CB 0.531 33.070 32.500 0.064 0.000 0.901 45 K HN 0.284 nan 8.250 nan 0.000 0.506 46 D N 1.834 122.307 120.400 0.122 0.000 2.317 46 D HA 0.093 4.731 4.640 -0.004 0.000 0.252 46 D C 0.074 176.446 176.300 0.120 0.000 1.174 46 D CA -0.359 53.740 54.000 0.166 0.000 0.866 46 D CB 0.689 41.570 40.800 0.135 0.000 1.127 46 D HN 0.240 nan 8.370 nan 0.000 0.467 47 V N 1.285 121.259 119.914 0.100 0.000 3.017 47 V HA 0.178 4.296 4.120 -0.004 0.000 0.354 47 V C 1.138 177.108 176.094 -0.206 0.000 1.389 47 V CA 0.097 62.368 62.300 -0.049 0.000 1.163 47 V CB -0.291 31.502 31.823 -0.051 0.000 1.178 47 V HN 0.392 nan 8.190 nan 0.000 0.547 48 S N 1.225 116.843 115.700 -0.138 0.000 2.406 48 S HA -0.153 4.315 4.470 -0.004 0.000 0.228 48 S C 1.995 176.649 174.600 0.090 0.000 1.020 48 S CA 1.380 59.553 58.200 -0.046 0.000 0.965 48 S CB -0.559 62.791 63.200 0.251 0.000 0.798 48 S HN 0.843 nan 8.310 nan 0.000 0.488 49 S N 2.616 118.353 115.700 0.062 0.000 2.461 49 S HA -0.096 4.371 4.470 -0.004 0.000 0.249 49 S C 1.410 176.026 174.600 0.028 0.000 1.012 49 S CA 1.247 59.478 58.200 0.052 0.000 0.982 49 S CB -0.750 62.480 63.200 0.049 0.000 0.764 49 S HN 0.546 nan 8.310 nan 0.000 0.506 50 L N -1.097 120.133 121.223 0.013 0.000 2.638 50 L HA 0.345 4.683 4.340 -0.004 0.000 0.232 50 L C 1.838 178.737 176.870 0.048 0.000 1.099 50 L CA -0.096 54.715 54.840 -0.049 0.000 0.883 50 L CB -0.458 41.485 42.059 -0.193 0.000 1.136 50 L HN 0.158 nan 8.230 nan 0.000 0.492 51 F N 3.450 123.427 119.950 0.045 0.000 2.050 51 F HA -0.312 4.214 4.527 -0.002 0.000 0.294 51 F C -0.285 175.566 175.800 0.086 0.000 1.113 51 F CA 2.584 60.690 58.000 0.176 0.000 1.225 51 F CB -1.043 38.030 39.000 0.122 0.000 0.953 51 F HN 0.084 nan 8.300 nan 0.000 0.501 52 P HA -0.193 nan 4.420 nan 0.000 0.216 52 P C 0.845 178.225 177.300 0.134 0.000 1.153 52 P CA 2.339 65.614 63.100 0.291 0.000 0.858 52 P CB -0.328 31.450 31.700 0.129 0.000 0.789 53 D N -0.060 120.368 120.400 0.046 0.000 2.077 53 D HA -0.090 4.548 4.640 -0.004 0.000 0.196 53 D C 2.203 178.462 176.300 -0.068 0.000 0.986 53 D CA 1.066 55.047 54.000 -0.033 0.000 0.829 53 D CB -0.821 39.931 40.800 -0.081 0.000 0.983 53 D HN 0.024 nan 8.370 nan 0.000 0.453 54 V N 1.720 121.550 119.914 -0.141 0.000 2.282 54 V HA -0.226 3.892 4.120 -0.004 0.000 0.249 54 V C 2.841 178.883 176.094 -0.087 0.000 1.057 54 V CA 1.252 63.429 62.300 -0.206 0.000 1.032 54 V CB -0.634 30.889 31.823 -0.500 0.000 0.645 54 V HN 0.041 nan 8.190 nan 0.000 0.447 55 V N 0.352 120.240 119.914 -0.043 0.000 2.343 55 V HA -0.285 3.833 4.120 -0.004 0.000 0.247 55 V C 2.222 178.349 176.094 0.055 0.000 1.051 55 V CA 2.209 64.528 62.300 0.031 0.000 1.036 55 V CB -0.991 30.874 31.823 0.070 0.000 0.654 55 V HN 0.619 nan 8.190 nan 0.000 0.451 56 N N -0.738 117.989 118.700 0.045 0.000 2.192 56 N HA -0.238 4.500 4.740 -0.004 0.000 0.188 56 N C 1.833 177.348 175.510 0.009 0.000 1.013 56 N CA 1.774 54.842 53.050 0.029 0.000 0.863 56 N CB -0.214 38.284 38.487 0.017 0.000 0.990 56 N HN 0.469 nan 8.380 nan 0.000 0.430 57 C N 1.169 120.461 119.300 -0.015 0.000 2.453 57 C HA -0.103 4.355 4.460 -0.004 0.000 0.277 57 C C 2.892 177.877 174.990 -0.009 0.000 1.262 57 C CA 0.700 59.701 59.018 -0.028 0.000 1.718 57 C CB -0.892 26.809 27.740 -0.064 0.000 2.031 57 C HN 0.576 nan 8.230 nan 0.000 0.480 58 M N 0.477 120.089 119.600 0.020 0.000 2.255 58 M HA -0.173 4.305 4.480 -0.004 0.000 0.259 58 M C 1.118 177.456 176.300 0.064 0.000 1.071 58 M CA 1.697 57.031 55.300 0.056 0.000 1.074 58 M CB -0.777 31.933 32.600 0.184 0.000 1.384 58 M HN 0.152 nan 8.290 nan 0.000 0.415 59 Q N 2.178 122.017 119.800 0.063 0.000 2.828 59 Q HA 0.125 4.462 4.340 -0.004 0.000 0.234 59 Q C -0.294 175.721 176.000 0.024 0.000 1.348 59 Q CA 0.533 56.370 55.803 0.056 0.000 0.878 59 Q CB -0.275 28.492 28.738 0.049 0.000 1.721 59 Q HN 0.568 nan 8.270 nan 0.000 0.550 60 T N -0.418 114.143 114.554 0.012 0.000 2.572 60 T HA 0.383 4.731 4.350 -0.004 0.000 0.274 60 T C -1.040 173.651 174.700 -0.015 0.000 0.949 60 T CA -0.000 62.093 62.100 -0.010 0.000 1.126 60 T CB 0.845 69.695 68.868 -0.031 0.000 1.478 60 T HN 0.534 nan 8.240 nan 0.000 0.492 61 D N -0.243 120.140 120.400 -0.028 0.000 2.480 61 D HA 0.129 4.766 4.640 -0.004 0.000 0.276 61 D C -0.067 176.207 176.300 -0.044 0.000 1.294 61 D CA -0.328 53.653 54.000 -0.031 0.000 0.829 61 D CB -0.924 39.868 40.800 -0.014 0.000 1.242 61 D HN 0.408 nan 8.370 nan 0.000 0.513 62 N N 0.666 119.336 118.700 -0.051 0.000 2.419 62 N HA 0.241 4.979 4.740 -0.004 0.000 0.264 62 N C 0.647 176.110 175.510 -0.078 0.000 1.031 62 N CA -0.429 52.589 53.050 -0.053 0.000 0.951 62 N CB 1.133 39.595 38.487 -0.041 0.000 1.101 62 N HN -0.156 nan 8.380 nan 0.000 0.488 63 L N 3.045 124.225 121.223 -0.071 0.000 2.109 63 L HA 0.018 4.356 4.340 -0.004 0.000 0.207 63 L C 2.050 178.869 176.870 -0.085 0.000 1.086 63 L CA 1.315 56.101 54.840 -0.091 0.000 0.760 63 L CB -0.379 41.639 42.059 -0.068 0.000 0.910 63 L HN 0.728 nan 8.230 nan 0.000 0.437 64 E N -0.587 119.581 120.200 -0.053 0.000 2.033 64 E HA -0.295 4.053 4.350 -0.004 0.000 0.199 64 E C 2.123 178.692 176.600 -0.053 0.000 1.011 64 E CA 1.607 57.985 56.400 -0.036 0.000 0.815 64 E CB -0.287 29.406 29.700 -0.012 0.000 0.755 64 E HN 0.257 nan 8.360 nan 0.000 0.451 65 L N 1.496 122.682 121.223 -0.063 0.000 1.976 65 L HA -0.227 4.110 4.340 -0.004 0.000 0.209 65 L C 2.326 179.122 176.870 -0.124 0.000 1.071 65 L CA 1.944 56.739 54.840 -0.075 0.000 0.746 65 L CB -0.376 41.643 42.059 -0.067 0.000 0.890 65 L HN -0.049 nan 8.230 nan 0.000 0.432 66 K N -0.478 119.808 120.400 -0.190 0.000 2.049 66 K HA -0.352 3.966 4.320 -0.004 0.000 0.219 66 K C 2.239 178.541 176.600 -0.497 0.000 1.056 66 K CA 2.413 58.466 56.287 -0.390 0.000 0.946 66 K CB -0.278 31.955 32.500 -0.445 0.000 0.723 66 K HN 0.169 nan 8.250 nan 0.000 0.453 67 K N 0.742 120.960 120.400 -0.304 0.000 1.987 67 K HA -0.172 4.146 4.320 -0.004 0.000 0.216 67 K C 1.831 178.429 176.600 -0.004 0.000 1.051 67 K CA 1.934 58.143 56.287 -0.130 0.000 0.942 67 K CB -0.752 31.721 32.500 -0.044 0.000 0.722 67 K HN 0.130 nan 8.250 nan 0.000 0.444 68 L N 0.696 121.915 121.223 -0.006 0.000 2.079 68 L HA -0.116 4.222 4.340 -0.004 0.000 0.210 68 L C 2.526 179.444 176.870 0.081 0.000 1.081 68 L CA 1.184 56.049 54.840 0.041 0.000 0.752 68 L CB -1.466 40.602 42.059 0.015 0.000 0.896 68 L HN 0.060 nan 8.230 nan 0.000 0.433 69 V N -1.058 118.884 119.914 0.046 0.000 2.220 69 V HA -0.355 3.763 4.120 -0.004 0.000 0.246 69 V C 2.342 178.594 176.094 0.263 0.000 1.049 69 V CA 1.697 64.062 62.300 0.109 0.000 1.003 69 V CB -0.801 31.057 31.823 0.058 0.000 0.634 69 V HN 0.324 nan 8.190 nan 0.000 0.444 70 Y N -0.867 119.485 120.300 0.086 0.000 2.108 70 Y HA -0.386 4.162 4.550 -0.003 0.000 0.274 70 Y C 2.633 178.584 175.900 0.085 0.000 1.229 70 Y CA 1.474 59.631 58.100 0.094 0.000 1.129 70 Y CB -0.340 38.137 38.460 0.028 0.000 0.946 70 Y HN 0.225 nan 8.280 nan 0.000 0.509 71 L N 0.106 121.478 121.223 0.249 0.000 1.956 71 L HA -0.319 4.019 4.340 -0.004 0.000 0.216 71 L C 2.294 179.263 176.870 0.166 0.000 1.073 71 L CA 2.265 57.204 54.840 0.166 0.000 0.762 71 L CB -1.695 40.450 42.059 0.144 0.000 0.889 71 L HN 0.363 nan 8.230 nan 0.000 0.433 72 Y N -0.178 120.167 120.300 0.075 0.000 2.151 72 Y HA -0.284 4.264 4.550 -0.003 0.000 0.284 72 Y C 2.665 178.593 175.900 0.046 0.000 1.166 72 Y CA 1.803 59.940 58.100 0.063 0.000 1.163 72 Y CB -0.338 38.097 38.460 -0.042 0.000 0.974 72 Y HN 0.214 nan 8.280 nan 0.000 0.511 73 L N -0.145 121.092 121.223 0.024 0.000 2.012 73 L HA -0.294 4.044 4.340 -0.004 0.000 0.210 73 L C 2.182 179.036 176.870 -0.027 0.000 1.073 73 L CA 2.204 57.013 54.840 -0.051 0.000 0.748 73 L CB -0.687 41.449 42.059 0.128 0.000 0.891 73 L HN 0.426 nan 8.230 nan 0.000 0.431 74 M N -0.463 119.146 119.600 0.014 0.000 2.180 74 M HA -0.267 4.211 4.480 -0.004 0.000 0.260 74 M C 2.049 178.324 176.300 -0.042 0.000 1.071 74 M CA 2.157 57.456 55.300 -0.002 0.000 1.096 74 M CB -2.034 30.567 32.600 0.002 0.000 1.276 74 M HN 0.298 nan 8.290 nan 0.000 0.426 75 N N 0.314 118.975 118.700 -0.066 0.000 2.094 75 N HA -0.204 4.534 4.740 -0.004 0.000 0.191 75 N C 1.396 176.732 175.510 -0.289 0.000 1.023 75 N CA 2.000 54.960 53.050 -0.151 0.000 0.857 75 N CB -0.315 38.114 38.487 -0.097 0.000 1.013 75 N HN 0.433 nan 8.380 nan 0.000 0.426 76 Y N -0.175 119.953 120.300 -0.286 0.000 2.503 76 Y HA 0.443 4.991 4.550 -0.004 0.000 0.277 76 Y C 2.301 178.250 175.900 0.083 0.000 1.102 76 Y CA 0.409 58.408 58.100 -0.168 0.000 1.261 76 Y CB -0.553 37.686 38.460 -0.368 0.000 1.096 76 Y HN 0.108 nan 8.280 nan 0.000 0.546 77 A N 0.963 123.918 122.820 0.226 0.000 1.940 77 A HA -0.357 3.961 4.320 -0.004 0.000 0.221 77 A C 2.309 179.970 177.584 0.129 0.000 1.190 77 A CA 2.372 54.579 52.037 0.284 0.000 0.647 77 A CB -0.731 18.353 19.000 0.140 0.000 0.821 77 A HN 0.410 nan 8.150 nan 0.000 0.457 78 K N 0.016 120.442 120.400 0.043 0.000 2.020 78 K HA -0.208 4.110 4.320 -0.004 0.000 0.212 78 K C 2.197 178.796 176.600 -0.001 0.000 1.050 78 K CA 2.153 58.441 56.287 0.001 0.000 0.929 78 K CB -0.306 32.174 32.500 -0.033 0.000 0.714 78 K HN 0.645 nan 8.250 nan 0.000 0.443 79 S N 0.424 116.130 115.700 0.010 0.000 2.555 79 S HA -0.071 4.397 4.470 -0.004 0.000 0.230 79 S C 0.459 175.051 174.600 -0.014 0.000 0.978 79 S CA 0.122 58.323 58.200 0.002 0.000 0.934 79 S CB -0.012 63.195 63.200 0.012 0.000 0.766 79 S HN 0.395 nan 8.310 nan 0.000 0.533 80 Q N 0.013 119.785 119.800 -0.047 0.000 3.244 80 Q HA 0.338 4.676 4.340 -0.004 0.000 0.249 80 Q C -2.794 173.081 176.000 -0.209 0.000 0.951 80 Q CA -1.894 53.800 55.803 -0.182 0.000 0.740 80 Q CB 1.371 29.887 28.738 -0.370 0.000 1.334 80 Q HN 0.198 nan 8.270 nan 0.000 0.448 81 P HA -0.217 nan 4.420 nan 0.000 0.216 81 P C 0.638 177.849 177.300 -0.147 0.000 1.150 81 P CA 1.218 64.251 63.100 -0.110 0.000 0.837 81 P CB 0.330 31.981 31.700 -0.082 0.000 0.786 82 D N 0.343 120.647 120.400 -0.159 0.000 2.435 82 D HA -0.216 4.421 4.640 -0.004 0.000 0.206 82 D C 1.824 178.001 176.300 -0.204 0.000 1.055 82 D CA 1.815 55.717 54.000 -0.164 0.000 0.908 82 D CB -0.941 39.764 40.800 -0.158 0.000 1.151 82 D HN 0.268 nan 8.370 nan 0.000 0.479 83 M N -0.358 119.048 119.600 -0.324 0.000 2.562 83 M HA 0.248 4.726 4.480 -0.004 0.000 0.257 83 M C 2.101 178.254 176.300 -0.245 0.000 1.099 83 M CA 0.996 56.101 55.300 -0.326 0.000 1.099 83 M CB -0.202 32.161 32.600 -0.394 0.000 1.427 83 M HN -0.094 nan 8.290 nan 0.000 0.489 84 A N 1.874 124.531 122.820 -0.270 0.000 2.131 84 A HA -0.037 4.281 4.320 -0.004 0.000 0.220 84 A C 2.092 179.642 177.584 -0.056 0.000 1.158 84 A CA 1.010 53.063 52.037 0.027 0.000 0.665 84 A CB -1.088 17.937 19.000 0.041 0.000 0.795 84 A HN 0.589 nan 8.150 nan 0.000 0.460 85 I N -1.278 119.224 120.570 -0.114 0.000 2.229 85 I HA -0.421 3.747 4.170 -0.004 0.000 0.250 85 I C 2.591 178.641 176.117 -0.112 0.000 1.096 85 I CA 1.953 63.169 61.300 -0.139 0.000 1.358 85 I CB -0.406 37.516 38.000 -0.130 0.000 1.047 85 I HN 0.383 nan 8.210 nan 0.000 0.422 86 M N 0.191 119.767 119.600 -0.040 0.000 2.103 86 M HA -0.310 4.167 4.480 -0.004 0.000 0.255 86 M C 2.403 178.667 176.300 -0.060 0.000 1.074 86 M CA 2.502 57.800 55.300 -0.003 0.000 1.090 86 M CB -0.400 32.264 32.600 0.106 0.000 1.325 86 M HN 0.399 nan 8.290 nan 0.000 0.403 87 A N -0.422 122.295 122.820 -0.173 0.000 1.930 87 A HA -0.094 4.224 4.320 -0.004 0.000 0.217 87 A C 2.130 179.513 177.584 -0.335 0.000 1.175 87 A CA 1.529 53.329 52.037 -0.396 0.000 0.627 87 A CB -1.321 17.098 19.000 -0.969 0.000 0.815 87 A HN 0.467 nan 8.150 nan 0.000 0.443 88 V N -0.108 119.653 119.914 -0.256 0.000 2.251 88 V HA -0.458 3.659 4.120 -0.004 0.000 0.259 88 V C 1.936 178.060 176.094 0.051 0.000 1.078 88 V CA 2.628 64.868 62.300 -0.099 0.000 1.072 88 V CB -1.500 30.272 31.823 -0.086 0.000 0.681 88 V HN 0.627 nan 8.190 nan 0.000 0.454 89 N N 0.957 119.693 118.700 0.060 0.000 2.142 89 N HA -0.143 4.594 4.740 -0.004 0.000 0.186 89 N C 2.275 177.870 175.510 0.141 0.000 1.023 89 N CA 2.191 55.305 53.050 0.105 0.000 0.852 89 N CB -0.307 38.228 38.487 0.079 0.000 0.998 89 N HN 0.824 nan 8.380 nan 0.000 0.424 90 S N 1.054 116.849 115.700 0.159 0.000 2.353 90 S HA -0.102 4.366 4.470 -0.004 0.000 0.222 90 S C 2.033 176.876 174.600 0.405 0.000 1.035 90 S CA 0.848 59.203 58.200 0.260 0.000 1.025 90 S CB -0.929 62.453 63.200 0.303 0.000 0.902 90 S HN 0.331 nan 8.310 nan 0.000 0.440 91 F N 0.990 121.002 119.950 0.104 0.000 2.113 91 F HA -0.040 4.485 4.527 -0.003 0.000 0.297 91 F C 2.792 178.640 175.800 0.079 0.000 1.103 91 F CA 0.780 58.834 58.000 0.090 0.000 1.248 91 F CB -0.482 38.542 39.000 0.040 0.000 0.999 91 F HN 0.136 nan 8.300 nan 0.000 0.475 92 V N 0.442 120.529 119.914 0.288 0.000 2.392 92 V HA -0.318 3.800 4.120 -0.004 0.000 0.249 92 V C 2.209 178.386 176.094 0.139 0.000 1.059 92 V CA 1.827 64.236 62.300 0.182 0.000 1.051 92 V CB -0.529 31.384 31.823 0.150 0.000 0.658 92 V HN 0.272 nan 8.190 nan 0.000 0.455 93 K N -0.699 119.787 120.400 0.144 0.000 2.097 93 K HA -0.192 4.126 4.320 -0.004 0.000 0.206 93 K C 1.871 178.533 176.600 0.103 0.000 1.049 93 K CA 1.608 57.961 56.287 0.110 0.000 0.933 93 K CB -0.183 32.379 32.500 0.102 0.000 0.717 93 K HN 0.415 nan 8.250 nan 0.000 0.442 94 D N 0.134 120.612 120.400 0.129 0.000 2.149 94 D HA -0.089 4.549 4.640 -0.004 0.000 0.201 94 D C 1.395 177.736 176.300 0.067 0.000 0.972 94 D CA 0.655 54.710 54.000 0.092 0.000 0.835 94 D CB -0.161 40.695 40.800 0.093 0.000 0.966 94 D HN 0.152 nan 8.370 nan 0.000 0.476 95 C N 0.493 119.840 119.300 0.077 0.000 2.434 95 C HA -0.057 4.401 4.460 -0.004 0.000 0.298 95 C C 1.789 176.810 174.990 0.052 0.000 1.495 95 C CA 0.502 59.555 59.018 0.059 0.000 1.756 95 C CB -1.135 26.648 27.740 0.071 0.000 1.647 95 C HN 0.230 nan 8.230 nan 0.000 0.579 96 E N -0.289 119.943 120.200 0.054 0.000 2.630 96 E HA 0.120 4.468 4.350 -0.004 0.000 0.218 96 E C 0.020 176.643 176.600 0.037 0.000 0.977 96 E CA -0.163 56.264 56.400 0.045 0.000 1.038 96 E CB 0.129 29.857 29.700 0.047 0.000 1.051 96 E HN 0.514 nan 8.360 nan 0.000 0.487 97 D N 0.373 120.795 120.400 0.037 0.000 2.354 97 D HA -0.016 4.622 4.640 -0.004 0.000 0.238 97 D C -1.043 175.269 176.300 0.021 0.000 1.250 97 D CA -0.998 53.019 54.000 0.029 0.000 0.911 97 D CB 0.836 41.652 40.800 0.026 0.000 1.163 97 D HN -0.061 nan 8.370 nan 0.000 0.456 98 P HA -0.146 nan 4.420 nan 0.000 0.202 98 P C -0.308 176.994 177.300 0.003 0.000 1.171 98 P CA 0.609 63.714 63.100 0.008 0.000 0.925 98 P CB -0.240 31.462 31.700 0.004 0.000 0.760 99 N N 0.872 119.570 118.700 -0.004 0.000 2.332 99 N HA -0.062 4.675 4.740 -0.004 0.000 0.274 99 N C -1.569 173.936 175.510 -0.008 0.000 1.351 99 N CA -0.706 52.334 53.050 -0.016 0.000 0.875 99 N CB 0.550 39.022 38.487 -0.025 0.000 1.140 99 N HN 0.037 nan 8.380 nan 0.000 0.489 100 P HA -0.174 nan 4.420 nan 0.000 0.218 100 P C 0.990 178.303 177.300 0.022 0.000 1.148 100 P CA 1.052 64.160 63.100 0.013 0.000 0.822 100 P CB 0.232 31.933 31.700 0.002 0.000 0.784 101 L N -1.951 119.224 121.223 -0.080 0.000 2.131 101 L HA -0.171 4.167 4.340 -0.004 0.000 0.210 101 L C 2.038 178.931 176.870 0.038 0.000 1.092 101 L CA 1.106 55.889 54.840 -0.095 0.000 0.759 101 L CB -0.738 41.211 42.059 -0.182 0.000 0.903 101 L HN -0.053 nan 8.230 nan 0.000 0.435 102 I N -0.661 119.919 120.570 0.016 0.000 2.235 102 I HA -0.152 4.016 4.170 -0.004 0.000 0.241 102 I C 2.627 178.770 176.117 0.044 0.000 1.085 102 I CA 1.101 62.416 61.300 0.025 0.000 1.378 102 I CB -0.831 37.170 38.000 0.003 0.000 1.076 102 I HN 0.100 nan 8.210 nan 0.000 0.415 103 R N 0.532 121.060 120.500 0.045 0.000 2.112 103 R HA -0.250 4.088 4.340 -0.004 0.000 0.242 103 R C 2.235 178.568 176.300 0.056 0.000 1.137 103 R CA 2.059 58.188 56.100 0.048 0.000 0.944 103 R CB -0.816 29.516 30.300 0.053 0.000 0.857 103 R HN 0.408 nan 8.270 nan 0.000 0.435 104 A N 1.041 123.931 122.820 0.116 0.000 1.902 104 A HA -0.152 4.166 4.320 -0.004 0.000 0.217 104 A C 2.095 179.727 177.584 0.080 0.000 1.181 104 A CA 1.047 53.160 52.037 0.128 0.000 0.623 104 A CB -0.481 18.710 19.000 0.317 0.000 0.818 104 A HN 0.244 nan 8.150 nan 0.000 0.443 105 L N -0.148 121.143 121.223 0.113 0.000 2.079 105 L HA -0.100 4.238 4.340 -0.004 0.000 0.210 105 L C 2.616 179.499 176.870 0.022 0.000 1.081 105 L CA 2.057 56.959 54.840 0.102 0.000 0.752 105 L CB -1.032 41.110 42.059 0.139 0.000 0.896 105 L HN 0.377 nan 8.230 nan 0.000 0.433 106 A N -0.941 121.864 122.820 -0.026 0.000 1.835 106 A HA -0.169 4.149 4.320 -0.004 0.000 0.215 106 A C 2.228 179.665 177.584 -0.246 0.000 1.199 106 A CA 2.415 54.304 52.037 -0.247 0.000 0.615 106 A CB -1.270 17.648 19.000 -0.137 0.000 0.838 106 A HN 0.272 nan 8.150 nan 0.000 0.444 107 V N 1.414 121.270 119.914 -0.096 0.000 2.278 107 V HA -0.364 3.754 4.120 -0.004 0.000 0.251 107 V C 2.742 178.785 176.094 -0.084 0.000 1.062 107 V CA 2.716 64.978 62.300 -0.064 0.000 1.038 107 V CB -1.220 30.578 31.823 -0.041 0.000 0.646 107 V HN 0.830 nan 8.190 nan 0.000 0.447 108 R N 0.483 120.929 120.500 -0.090 0.000 2.115 108 R HA -0.114 4.224 4.340 -0.004 0.000 0.226 108 R C 2.034 178.273 176.300 -0.102 0.000 1.100 108 R CA 1.878 57.928 56.100 -0.084 0.000 0.980 108 R CB -0.904 29.356 30.300 -0.067 0.000 0.875 108 R HN 0.491 nan 8.270 nan 0.000 0.445 109 T N 1.191 115.629 114.554 -0.193 0.000 2.812 109 T HA -0.111 4.237 4.350 -0.004 0.000 0.264 109 T C 1.710 176.323 174.700 -0.144 0.000 1.042 109 T CA 1.437 63.368 62.100 -0.281 0.000 1.140 109 T CB -0.176 68.228 68.868 -0.775 0.000 0.870 109 T HN 0.248 nan 8.240 nan 0.000 0.445 110 M N 1.780 121.321 119.600 -0.099 0.000 2.065 110 M HA -0.004 4.474 4.480 -0.004 0.000 0.259 110 M C 2.244 178.595 176.300 0.084 0.000 1.071 110 M CA 2.046 57.452 55.300 0.176 0.000 1.109 110 M CB -0.616 32.110 32.600 0.211 0.000 1.313 110 M HN 0.270 nan 8.290 nan 0.000 0.408 111 G N -1.608 107.204 108.800 0.020 0.000 2.776 111 G HA2 -0.134 3.823 3.960 -0.004 0.000 0.209 111 G HA3 -0.134 3.823 3.960 -0.004 0.000 0.209 111 G C 1.245 176.144 174.900 -0.002 0.000 1.145 111 G CA 0.598 45.702 45.100 0.005 0.000 0.791 111 G HN 0.606 nan 8.290 nan 0.000 0.530 112 C N -0.191 119.108 119.300 -0.002 0.000 2.673 112 C HA 0.450 4.908 4.460 -0.004 0.000 0.264 112 C C 0.751 175.742 174.990 0.002 0.000 1.304 112 C CA -0.681 58.333 59.018 -0.008 0.000 1.727 112 C CB -0.701 27.029 27.740 -0.017 0.000 1.932 112 C HN 0.250 nan 8.230 nan 0.000 0.563 113 I N 1.861 122.442 120.570 0.017 0.000 2.297 113 I HA 0.259 4.427 4.170 -0.004 0.000 0.291 113 I C 0.346 176.467 176.117 0.005 0.000 1.033 113 I CA 0.431 61.740 61.300 0.015 0.000 1.253 113 I CB 0.526 38.539 38.000 0.023 0.000 1.396 113 I HN 0.062 nan 8.210 nan 0.000 0.476 114 R N 6.240 126.739 120.500 -0.003 0.000 3.171 114 R HA 0.387 4.725 4.340 -0.004 0.000 0.241 114 R C -0.822 175.470 176.300 -0.012 0.000 1.421 114 R CA -0.416 55.680 56.100 -0.007 0.000 1.444 114 R CB 0.158 30.450 30.300 -0.012 0.000 1.247 114 R HN 0.486 nan 8.270 nan 0.000 0.636 115 V N -1.324 118.582 119.914 -0.014 0.000 2.495 115 V HA 0.240 4.358 4.120 -0.004 0.000 0.298 115 V C 0.779 176.860 176.094 -0.022 0.000 1.031 115 V CA -1.013 61.271 62.300 -0.026 0.000 0.871 115 V CB 1.910 33.708 31.823 -0.042 0.000 0.988 115 V HN 0.471 nan 8.190 nan 0.000 0.432 116 D N 2.792 123.178 120.400 -0.023 0.000 2.384 116 D HA -0.148 4.489 4.640 -0.004 0.000 0.222 116 D C 1.053 177.353 176.300 -0.000 0.000 0.976 116 D CA 1.086 55.079 54.000 -0.012 0.000 0.915 116 D CB 0.153 40.943 40.800 -0.016 0.000 0.896 116 D HN 0.796 nan 8.370 nan 0.000 0.523 117 K N -0.979 119.415 120.400 -0.010 0.000 2.440 117 K HA 0.208 4.526 4.320 -0.004 0.000 0.207 117 K C 1.525 178.147 176.600 0.037 0.000 1.112 117 K CA -0.379 55.915 56.287 0.012 0.000 1.036 117 K CB 0.694 33.178 32.500 -0.026 0.000 0.935 117 K HN -0.084 nan 8.250 nan 0.000 0.564 118 I N 2.142 122.714 120.570 0.003 0.000 2.315 118 I HA -0.258 3.910 4.170 -0.004 0.000 0.248 118 I C 1.625 177.799 176.117 0.095 0.000 1.117 118 I CA 1.656 62.975 61.300 0.032 0.000 1.404 118 I CB -0.228 37.765 38.000 -0.011 0.000 1.071 118 I HN 0.183 nan 8.210 nan 0.000 0.419 119 T N 0.773 115.369 114.554 0.071 0.000 2.481 119 T HA -0.385 3.963 4.350 -0.004 0.000 0.252 119 T C 1.642 176.415 174.700 0.121 0.000 1.242 119 T CA 2.282 64.432 62.100 0.084 0.000 1.170 119 T CB -1.198 67.707 68.868 0.061 0.000 0.860 119 T HN 0.645 nan 8.240 nan 0.000 0.422 120 E N 0.779 121.058 120.200 0.132 0.000 2.085 120 E HA -0.205 4.143 4.350 -0.004 0.000 0.194 120 E C 2.096 178.795 176.600 0.165 0.000 0.994 120 E CA 1.416 57.899 56.400 0.139 0.000 0.801 120 E CB -0.701 29.083 29.700 0.141 0.000 0.743 120 E HN 0.582 nan 8.360 nan 0.000 0.453 121 Y N 0.951 121.265 120.300 0.025 0.000 2.352 121 Y HA -0.052 4.496 4.550 -0.004 0.000 0.292 121 Y C 2.187 178.115 175.900 0.047 0.000 1.136 121 Y CA 1.162 59.277 58.100 0.026 0.000 1.227 121 Y CB -0.120 38.344 38.460 0.006 0.000 0.991 121 Y HN 0.243 nan 8.280 nan 0.000 0.545 122 L N -3.330 117.996 121.223 0.171 0.000 2.298 122 L HA 0.090 4.427 4.340 -0.004 0.000 0.209 122 L C 2.116 179.056 176.870 0.117 0.000 1.084 122 L CA 0.696 55.612 54.840 0.127 0.000 0.816 122 L CB -1.449 40.679 42.059 0.115 0.000 0.967 122 L HN -0.006 nan 8.230 nan 0.000 0.460 123 C N 0.608 119.996 119.300 0.147 0.000 2.383 123 C HA -0.289 4.169 4.460 -0.004 0.000 0.271 123 C C 2.819 177.963 174.990 0.257 0.000 1.138 123 C CA 2.019 61.180 59.018 0.239 0.000 1.836 123 C CB -0.940 26.902 27.740 0.170 0.000 2.155 123 C HN 0.768 nan 8.230 nan 0.000 0.460 124 E N -0.021 120.255 120.200 0.127 0.000 2.060 124 E HA -0.018 4.330 4.350 -0.004 0.000 0.189 124 E C -0.315 176.338 176.600 0.089 0.000 0.974 124 E CA 1.081 57.541 56.400 0.100 0.000 0.808 124 E CB -0.882 28.835 29.700 0.029 0.000 0.768 124 E HN 0.385 nan 8.360 nan 0.000 0.453 125 P HA -0.215 nan 4.420 nan 0.000 0.217 125 P C 1.543 178.861 177.300 0.031 0.000 1.162 125 P CA 1.172 64.305 63.100 0.054 0.000 0.901 125 P CB -0.102 31.638 31.700 0.065 0.000 0.793 126 L N -0.965 120.261 121.223 0.006 0.000 2.046 126 L HA -0.121 4.217 4.340 -0.004 0.000 0.208 126 L C 2.547 179.350 176.870 -0.111 0.000 1.077 126 L CA 1.852 56.622 54.840 -0.117 0.000 0.747 126 L CB -0.740 41.161 42.059 -0.263 0.000 0.896 126 L HN -0.223 nan 8.230 nan 0.000 0.432 127 R N 0.341 120.913 120.500 0.121 0.000 2.073 127 R HA -0.192 4.146 4.340 -0.004 0.000 0.234 127 R C 2.066 178.453 176.300 0.146 0.000 1.134 127 R CA 1.823 58.124 56.100 0.335 0.000 0.952 127 R CB -0.281 30.277 30.300 0.430 0.000 0.850 127 R HN 0.354 nan 8.270 nan 0.000 0.433 128 K N -0.712 119.743 120.400 0.093 0.000 2.505 128 K HA 0.031 4.349 4.320 -0.004 0.000 0.192 128 K C 1.427 178.048 176.600 0.035 0.000 1.025 128 K CA -0.089 56.233 56.287 0.058 0.000 1.086 128 K CB 0.085 32.615 32.500 0.049 0.000 0.840 128 K HN 0.155 nan 8.250 nan 0.000 0.514 129 C N -0.393 118.916 119.300 0.015 0.000 2.487 129 C HA 0.174 4.632 4.460 -0.004 0.000 0.311 129 C C 1.686 176.666 174.990 -0.017 0.000 1.367 129 C CA -0.185 58.829 59.018 -0.006 0.000 1.865 129 C CB -0.230 27.494 27.740 -0.027 0.000 2.277 129 C HN 0.438 nan 8.230 nan 0.000 0.521 130 L N 0.966 122.167 121.223 -0.037 0.000 2.651 130 L HA -0.091 4.247 4.340 -0.004 0.000 0.236 130 L C 0.332 177.209 176.870 0.011 0.000 1.173 130 L CA 1.364 56.189 54.840 -0.025 0.000 0.843 130 L CB -0.723 41.316 42.059 -0.033 0.000 0.964 130 L HN 0.383 nan 8.230 nan 0.000 0.454 131 K N -0.226 120.186 120.400 0.021 0.000 2.324 131 K HA 0.593 4.911 4.320 -0.004 0.000 0.253 131 K C -0.958 175.657 176.600 0.024 0.000 0.932 131 K CA -0.792 55.511 56.287 0.026 0.000 0.799 131 K CB 2.344 34.864 32.500 0.034 0.000 1.154 131 K HN -0.214 nan 8.250 nan 0.000 0.425 132 D N 1.396 121.811 120.400 0.025 0.000 2.820 132 D HA -0.007 4.631 4.640 -0.004 0.000 0.244 132 D C -1.056 175.262 176.300 0.029 0.000 1.106 132 D CA -0.353 53.664 54.000 0.028 0.000 0.741 132 D CB 1.564 42.383 40.800 0.031 0.000 2.042 132 D HN 0.462 nan 8.370 nan 0.000 0.459 133 E N 1.123 121.340 120.200 0.028 0.000 2.528 133 E HA 0.157 4.504 4.350 -0.004 0.000 0.237 133 E C -0.888 175.733 176.600 0.035 0.000 1.408 133 E CA 0.333 56.749 56.400 0.028 0.000 1.571 133 E CB 0.071 29.785 29.700 0.023 0.000 1.395 133 E HN 0.182 nan 8.360 nan 0.000 0.438 134 D N -1.352 119.075 120.400 0.045 0.000 2.861 134 D HA 0.108 4.746 4.640 -0.004 0.000 0.216 134 D C -2.379 173.968 176.300 0.078 0.000 1.323 134 D CA -1.748 52.291 54.000 0.065 0.000 0.917 134 D CB 1.897 42.742 40.800 0.075 0.000 1.582 134 D HN -0.172 nan 8.370 nan 0.000 0.576 135 P HA -0.024 nan 4.420 nan 0.000 0.225 135 P C 1.245 178.604 177.300 0.098 0.000 1.156 135 P CA 0.428 63.574 63.100 0.077 0.000 0.787 135 P CB 0.244 31.989 31.700 0.074 0.000 0.802 136 Y N 0.756 121.065 120.300 0.014 0.000 2.097 136 Y HA -0.248 4.300 4.550 -0.003 0.000 0.282 136 Y C 2.149 178.052 175.900 0.004 0.000 1.152 136 Y CA 1.448 59.555 58.100 0.012 0.000 1.136 136 Y CB -1.060 37.406 38.460 0.011 0.000 0.975 136 Y HN -0.301 nan 8.280 nan 0.000 0.498 137 V N 0.803 120.815 119.914 0.163 0.000 2.218 137 V HA -0.452 3.666 4.120 -0.004 0.000 0.251 137 V C 2.422 178.502 176.094 -0.023 0.000 1.057 137 V CA 2.651 64.988 62.300 0.062 0.000 1.022 137 V CB -0.775 31.091 31.823 0.071 0.000 0.645 137 V HN 0.384 nan 8.190 nan 0.000 0.451 138 R N -0.066 120.429 120.500 -0.008 0.000 2.091 138 R HA -0.226 4.112 4.340 -0.004 0.000 0.238 138 R C 2.363 178.629 176.300 -0.058 0.000 1.136 138 R CA 1.875 57.958 56.100 -0.027 0.000 0.959 138 R CB -0.515 29.783 30.300 -0.004 0.000 0.856 138 R HN 0.661 nan 8.270 nan 0.000 0.437 139 K N 0.670 121.028 120.400 -0.071 0.000 2.015 139 K HA -0.217 4.100 4.320 -0.004 0.000 0.220 139 K C 1.774 178.289 176.600 -0.142 0.000 1.055 139 K CA 2.529 58.751 56.287 -0.108 0.000 0.951 139 K CB -0.467 31.936 32.500 -0.162 0.000 0.725 139 K HN 0.043 nan 8.250 nan 0.000 0.449 140 T N 0.608 115.047 114.554 -0.192 0.000 2.737 140 T HA -0.168 4.180 4.350 -0.004 0.000 0.269 140 T C 1.972 176.596 174.700 -0.127 0.000 1.040 140 T CA 1.465 63.461 62.100 -0.173 0.000 1.142 140 T CB -0.480 68.283 68.868 -0.175 0.000 0.861 140 T HN 0.526 nan 8.240 nan 0.000 0.456 141 A N 1.464 124.217 122.820 -0.112 0.000 1.873 141 A HA 0.231 4.549 4.320 -0.004 0.000 0.215 141 A C 2.699 180.199 177.584 -0.139 0.000 1.186 141 A CA 1.727 53.691 52.037 -0.122 0.000 0.616 141 A CB -1.187 17.752 19.000 -0.101 0.000 0.823 141 A HN 0.510 nan 8.150 nan 0.000 0.442 142 A N -0.320 122.434 122.820 -0.110 0.000 1.883 142 A HA -0.050 4.268 4.320 -0.004 0.000 0.217 142 A C 2.204 179.721 177.584 -0.111 0.000 1.186 142 A CA 1.973 53.948 52.037 -0.103 0.000 0.624 142 A CB -1.126 17.827 19.000 -0.079 0.000 0.822 142 A HN 0.507 nan 8.150 nan 0.000 0.444 143 V N -1.152 118.693 119.914 -0.115 0.000 2.392 143 V HA -0.327 3.791 4.120 -0.004 0.000 0.249 143 V C 2.605 178.639 176.094 -0.101 0.000 1.059 143 V CA 1.895 64.126 62.300 -0.114 0.000 1.051 143 V CB -1.421 30.332 31.823 -0.116 0.000 0.658 143 V HN 0.738 nan 8.190 nan 0.000 0.455 144 C N -0.390 118.844 119.300 -0.109 0.000 2.453 144 C HA -0.103 4.355 4.460 -0.004 0.000 0.277 144 C C 2.797 177.722 174.990 -0.108 0.000 1.262 144 C CA 1.160 60.115 59.018 -0.105 0.000 1.718 144 C CB -0.759 26.907 27.740 -0.123 0.000 2.031 144 C HN 0.453 nan 8.230 nan 0.000 0.480 145 V N 1.453 121.279 119.914 -0.147 0.000 2.282 145 V HA -0.280 3.838 4.120 -0.004 0.000 0.249 145 V C 2.713 178.795 176.094 -0.020 0.000 1.057 145 V CA 2.433 64.661 62.300 -0.119 0.000 1.032 145 V CB -1.379 30.359 31.823 -0.142 0.000 0.645 145 V HN 0.659 nan 8.190 nan 0.000 0.447 146 A N -0.581 122.215 122.820 -0.041 0.000 1.865 146 A HA -0.315 4.003 4.320 -0.004 0.000 0.217 146 A C 2.317 179.914 177.584 0.022 0.000 1.191 146 A CA 2.367 54.394 52.037 -0.016 0.000 0.623 146 A CB -0.617 18.344 19.000 -0.065 0.000 0.826 146 A HN 0.518 nan 8.150 nan 0.000 0.444 147 K N -1.073 119.319 120.400 -0.014 0.000 2.173 147 K HA -0.200 4.117 4.320 -0.004 0.000 0.207 147 K C 1.872 178.481 176.600 0.015 0.000 1.046 147 K CA 1.686 57.968 56.287 -0.008 0.000 0.929 147 K CB -0.292 32.189 32.500 -0.031 0.000 0.720 147 K HN 0.467 nan 8.250 nan 0.000 0.453 148 L N -0.099 121.139 121.223 0.026 0.000 2.049 148 L HA -0.136 4.202 4.340 -0.004 0.000 0.203 148 L C 2.227 179.137 176.870 0.066 0.000 1.074 148 L CA 1.760 56.625 54.840 0.042 0.000 0.749 148 L CB -0.729 41.360 42.059 0.050 0.000 0.907 148 L HN 0.275 nan 8.230 nan 0.000 0.439 149 H N -0.630 118.451 119.070 0.019 0.000 2.496 149 H HA -0.221 4.333 4.556 -0.003 0.000 0.296 149 H C 1.488 176.822 175.328 0.011 0.000 1.107 149 H CA 1.851 57.913 56.048 0.024 0.000 1.263 149 H CB 0.017 29.791 29.762 0.021 0.000 1.369 149 H HN 0.546 nan 8.280 nan 0.000 0.541 150 D N 0.032 120.489 120.400 0.094 0.000 2.178 150 D HA -0.067 4.571 4.640 -0.004 0.000 0.202 150 D C 0.256 176.545 176.300 -0.019 0.000 0.974 150 D CA 0.375 54.400 54.000 0.041 0.000 0.841 150 D CB 0.034 40.855 40.800 0.036 0.000 0.953 150 D HN 0.250 nan 8.370 nan 0.000 0.478 151 I N -0.128 120.426 120.570 -0.027 0.000 2.465 151 I HA 0.259 4.427 4.170 -0.004 0.000 0.291 151 I C 0.282 176.373 176.117 -0.043 0.000 1.014 151 I CA -0.393 60.887 61.300 -0.033 0.000 1.093 151 I CB 0.896 38.887 38.000 -0.016 0.000 1.267 151 I HN 0.152 nan 8.210 nan 0.000 0.431 152 N N 3.615 122.285 118.700 -0.049 0.000 2.857 152 N HA -0.224 4.514 4.740 -0.004 0.000 0.242 152 N C -0.168 175.308 175.510 -0.056 0.000 0.983 152 N CA 0.884 53.910 53.050 -0.041 0.000 0.934 152 N CB -0.365 38.112 38.487 -0.016 0.000 1.115 152 N HN 0.702 nan 8.380 nan 0.000 0.593 153 A N 0.699 123.454 122.820 -0.107 0.000 2.273 153 A HA 0.420 4.738 4.320 -0.004 0.000 0.320 153 A C 0.766 178.217 177.584 -0.222 0.000 1.358 153 A CA -0.326 51.637 52.037 -0.124 0.000 0.910 153 A CB 1.051 19.999 19.000 -0.086 0.000 1.159 153 A HN 0.460 nan 8.150 nan 0.000 0.526 154 Q N 3.598 123.335 119.800 -0.106 0.000 2.581 154 Q HA 0.417 4.755 4.340 -0.004 0.000 0.222 154 Q C 0.208 176.206 176.000 -0.004 0.000 0.904 154 Q CA 0.047 55.813 55.803 -0.060 0.000 0.923 154 Q CB -0.497 28.219 28.738 -0.037 0.000 1.117 154 Q HN 0.664 nan 8.270 nan 0.000 0.618 155 M N 1.123 120.714 119.600 -0.015 0.000 4.058 155 M HA -0.226 4.252 4.480 -0.004 0.000 0.157 155 M C 0.835 177.109 176.300 -0.043 0.000 1.530 155 M CA 0.354 55.641 55.300 -0.022 0.000 1.097 155 M CB -0.310 32.285 32.600 -0.009 0.000 1.345 155 M HN 0.315 nan 8.290 nan 0.000 0.191 156 V N 0.335 120.211 119.914 -0.064 0.000 2.283 156 V HA -0.191 3.927 4.120 -0.004 0.000 0.243 156 V C 1.998 178.002 176.094 -0.149 0.000 1.039 156 V CA 2.014 64.265 62.300 -0.081 0.000 1.016 156 V CB -0.869 30.915 31.823 -0.064 0.000 0.650 156 V HN 1.026 nan 8.190 nan 0.000 0.449 157 E N 1.056 121.132 120.200 -0.208 0.000 2.097 157 E HA -0.392 3.956 4.350 -0.004 0.000 0.196 157 E C 2.002 178.211 176.600 -0.652 0.000 1.000 157 E CA 2.044 58.212 56.400 -0.388 0.000 0.804 157 E CB -0.436 29.040 29.700 -0.373 0.000 0.740 157 E HN 0.656 nan 8.360 nan 0.000 0.454 158 D N -0.135 120.016 120.400 -0.415 0.000 2.190 158 D HA -0.198 4.439 4.640 -0.004 0.000 0.200 158 D C 1.884 178.167 176.300 -0.028 0.000 0.992 158 D CA 1.224 55.138 54.000 -0.144 0.000 0.854 158 D CB -0.049 40.778 40.800 0.045 0.000 0.936 158 D HN 0.207 nan 8.370 nan 0.000 0.462 159 Q N -0.629 119.126 119.800 -0.074 0.000 2.123 159 Q HA 0.131 4.469 4.340 -0.004 0.000 0.199 159 Q C 2.196 178.169 176.000 -0.045 0.000 0.966 159 Q CA 1.287 57.074 55.803 -0.026 0.000 0.845 159 Q CB -0.685 28.039 28.738 -0.022 0.000 0.907 159 Q HN 0.357 nan 8.270 nan 0.000 0.439 160 G N -0.253 108.462 108.800 -0.141 0.000 2.505 160 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.220 160 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.220 160 G C 1.147 176.049 174.900 0.003 0.000 1.145 160 G CA 0.929 45.951 45.100 -0.130 0.000 0.761 160 G HN 0.393 nan 8.290 nan 0.000 0.571 161 F N 0.074 120.032 119.950 0.013 0.000 2.146 161 F HA 0.062 4.586 4.527 -0.004 0.000 0.298 161 F C 2.678 178.483 175.800 0.009 0.000 1.096 161 F CA -0.037 57.971 58.000 0.013 0.000 1.275 161 F CB -0.225 38.788 39.000 0.020 0.000 1.008 161 F HN 0.038 nan 8.300 nan 0.000 0.480 162 L N 0.348 121.691 121.223 0.199 0.000 1.971 162 L HA -0.312 4.026 4.340 -0.004 0.000 0.215 162 L C 1.996 178.910 176.870 0.072 0.000 1.072 162 L CA 1.793 56.695 54.840 0.103 0.000 0.758 162 L CB -0.597 41.501 42.059 0.066 0.000 0.889 162 L HN 0.106 nan 8.230 nan 0.000 0.433 163 D N -0.614 119.822 120.400 0.060 0.000 2.106 163 D HA -0.193 4.445 4.640 -0.004 0.000 0.191 163 D C 2.291 178.625 176.300 0.056 0.000 0.997 163 D CA 1.651 55.677 54.000 0.044 0.000 0.834 163 D CB -0.190 40.628 40.800 0.030 0.000 0.956 163 D HN 0.152 nan 8.370 nan 0.000 0.448 164 S N -0.097 115.656 115.700 0.088 0.000 2.380 164 S HA -0.197 4.271 4.470 -0.004 0.000 0.229 164 S C 1.793 176.429 174.600 0.060 0.000 1.043 164 S CA 0.681 58.936 58.200 0.091 0.000 1.038 164 S CB -0.371 62.926 63.200 0.161 0.000 0.872 164 S HN 0.176 nan 8.310 nan 0.000 0.456 165 L N 1.516 122.775 121.223 0.060 0.000 2.027 165 L HA 0.041 4.379 4.340 -0.004 0.000 0.206 165 L C 2.393 179.272 176.870 0.015 0.000 1.074 165 L CA 1.669 56.523 54.840 0.024 0.000 0.745 165 L CB -0.482 41.587 42.059 0.015 0.000 0.898 165 L HN 0.138 nan 8.230 nan 0.000 0.433 166 R N -0.526 119.986 120.500 0.021 0.000 2.073 166 R HA -0.173 4.165 4.340 -0.004 0.000 0.234 166 R C 1.874 178.184 176.300 0.017 0.000 1.134 166 R CA 1.884 57.993 56.100 0.016 0.000 0.952 166 R CB -0.340 29.969 30.300 0.016 0.000 0.850 166 R HN 0.424 nan 8.270 nan 0.000 0.433 167 D N 0.657 121.070 120.400 0.022 0.000 2.221 167 D HA -0.184 4.454 4.640 -0.004 0.000 0.204 167 D C 1.916 178.227 176.300 0.018 0.000 0.982 167 D CA 0.819 54.831 54.000 0.020 0.000 0.857 167 D CB -0.050 40.765 40.800 0.024 0.000 0.934 167 D HN 0.326 nan 8.370 nan 0.000 0.475 168 L N 0.495 121.729 121.223 0.018 0.000 2.046 168 L HA -0.164 4.174 4.340 -0.004 0.000 0.208 168 L C 2.446 179.324 176.870 0.014 0.000 1.077 168 L CA 0.539 55.387 54.840 0.014 0.000 0.747 168 L CB -0.193 41.870 42.059 0.007 0.000 0.896 168 L HN 0.008 nan 8.230 nan 0.000 0.432 169 I N 0.278 120.856 120.570 0.013 0.000 2.074 169 I HA -0.346 3.822 4.170 -0.004 0.000 0.238 169 I C 1.731 177.858 176.117 0.017 0.000 1.037 169 I CA 1.440 62.750 61.300 0.016 0.000 1.301 169 I CB -0.399 37.609 38.000 0.014 0.000 1.016 169 I HN 0.223 nan 8.210 nan 0.000 0.400 170 A N 0.784 123.612 122.820 0.013 0.000 3.065 170 A HA 0.001 4.319 4.320 -0.004 0.000 0.262 170 A C -0.089 177.503 177.584 0.014 0.000 1.901 170 A CA 0.288 52.332 52.037 0.011 0.000 1.475 170 A CB -1.031 17.974 19.000 0.008 0.000 0.984 170 A HN 0.379 nan 8.150 nan 0.000 0.618 171 D N -0.946 119.465 120.400 0.017 0.000 2.387 171 D HA 0.414 5.052 4.640 -0.004 0.000 0.255 171 D C 1.247 177.559 176.300 0.019 0.000 1.081 171 D CA -0.182 53.829 54.000 0.019 0.000 0.994 171 D CB 1.427 42.240 40.800 0.021 0.000 1.127 171 D HN 0.071 nan 8.370 nan 0.000 0.513 172 S N 0.117 115.828 115.700 0.020 0.000 2.500 172 S HA -0.072 4.396 4.470 -0.004 0.000 0.239 172 S C 0.410 175.025 174.600 0.025 0.000 0.989 172 S CA 0.603 58.815 58.200 0.020 0.000 0.951 172 S CB -0.497 62.716 63.200 0.021 0.000 0.759 172 S HN 0.443 nan 8.310 nan 0.000 0.523 173 N N -0.563 118.154 118.700 0.029 0.000 2.240 173 N HA 0.330 5.068 4.740 -0.004 0.000 0.302 173 N C -2.049 173.486 175.510 0.041 0.000 1.106 173 N CA -1.867 51.204 53.050 0.036 0.000 0.778 173 N CB 1.806 40.317 38.487 0.040 0.000 1.431 173 N HN -0.250 nan 8.380 nan 0.000 0.479 174 P HA -0.152 nan 4.420 nan 0.000 0.205 174 P C 1.426 178.771 177.300 0.076 0.000 1.203 174 P CA 1.086 64.222 63.100 0.060 0.000 0.926 174 P CB 0.034 31.770 31.700 0.059 0.000 0.767 175 M N 0.006 119.654 119.600 0.081 0.000 2.204 175 M HA -0.207 4.271 4.480 -0.004 0.000 0.255 175 M C 2.035 178.374 176.300 0.065 0.000 1.073 175 M CA 2.028 57.380 55.300 0.088 0.000 1.084 175 M CB -1.343 31.303 32.600 0.076 0.000 1.289 175 M HN -0.295 nan 8.290 nan 0.000 0.419 176 V N -0.843 119.096 119.914 0.041 0.000 2.250 176 V HA -0.406 3.712 4.120 -0.004 0.000 0.250 176 V C 2.151 178.265 176.094 0.034 0.000 1.039 176 V CA 2.498 64.812 62.300 0.023 0.000 1.042 176 V CB -1.327 30.510 31.823 0.024 0.000 0.673 176 V HN 0.570 nan 8.190 nan 0.000 0.477 177 V N -0.237 119.705 119.914 0.045 0.000 2.546 177 V HA -0.275 3.843 4.120 -0.004 0.000 0.254 177 V C 2.433 178.581 176.094 0.089 0.000 1.076 177 V CA 2.372 64.703 62.300 0.053 0.000 1.087 177 V CB -0.674 31.178 31.823 0.050 0.000 0.674 177 V HN 0.640 nan 8.190 nan 0.000 0.470 178 A N 0.340 123.243 122.820 0.137 0.000 1.858 178 A HA -0.217 4.101 4.320 -0.004 0.000 0.216 178 A C 1.953 179.640 177.584 0.171 0.000 1.190 178 A CA 2.098 54.299 52.037 0.274 0.000 0.617 178 A CB -0.782 18.423 19.000 0.342 0.000 0.827 178 A HN 0.642 nan 8.150 nan 0.000 0.443 179 N N 0.554 119.293 118.700 0.064 0.000 2.244 179 N HA -0.027 4.711 4.740 -0.004 0.000 0.183 179 N C 1.745 177.196 175.510 -0.097 0.000 1.016 179 N CA 1.466 54.470 53.050 -0.076 0.000 0.866 179 N CB -0.602 37.847 38.487 -0.064 0.000 0.980 179 N HN 0.484 nan 8.380 nan 0.000 0.430 180 A N 0.618 123.414 122.820 -0.040 0.000 1.877 180 A HA -0.066 4.252 4.320 -0.004 0.000 0.216 180 A C 2.471 180.029 177.584 -0.042 0.000 1.186 180 A CA 1.284 53.298 52.037 -0.037 0.000 0.620 180 A CB -0.906 18.089 19.000 -0.009 0.000 0.822 180 A HN 0.096 nan 8.150 nan 0.000 0.443 181 V N -0.160 119.745 119.914 -0.014 0.000 2.295 181 V HA -0.238 3.880 4.120 -0.004 0.000 0.246 181 V C 3.080 179.136 176.094 -0.064 0.000 1.049 181 V CA 1.964 64.264 62.300 0.000 0.000 1.024 181 V CB -1.184 30.681 31.823 0.071 0.000 0.648 181 V HN 0.641 nan 8.190 nan 0.000 0.447 182 A N -0.021 122.695 122.820 -0.174 0.000 1.869 182 A HA -0.276 4.042 4.320 -0.004 0.000 0.218 182 A C 2.411 179.842 177.584 -0.255 0.000 1.203 182 A CA 2.886 54.680 52.037 -0.404 0.000 0.638 182 A CB -1.150 17.321 19.000 -0.883 0.000 0.831 182 A HN 0.629 nan 8.150 nan 0.000 0.450 183 A N -0.691 122.007 122.820 -0.203 0.000 1.834 183 A HA -0.092 4.225 4.320 -0.004 0.000 0.216 183 A C 2.105 179.621 177.584 -0.113 0.000 1.203 183 A CA 1.693 53.643 52.037 -0.145 0.000 0.621 183 A CB -0.930 17.999 19.000 -0.119 0.000 0.841 183 A HN 0.564 nan 8.150 nan 0.000 0.446 184 L N 0.902 122.074 121.223 -0.086 0.000 2.151 184 L HA -0.253 4.085 4.340 -0.004 0.000 0.215 184 L C 2.739 179.571 176.870 -0.063 0.000 1.084 184 L CA 2.971 57.772 54.840 -0.066 0.000 0.764 184 L CB -1.159 40.879 42.059 -0.035 0.000 0.891 184 L HN 0.695 nan 8.230 nan 0.000 0.435 185 S N -0.995 114.670 115.700 -0.059 0.000 2.348 185 S HA -0.217 4.251 4.470 -0.004 0.000 0.219 185 S C 1.797 176.366 174.600 -0.053 0.000 1.033 185 S CA 0.825 59.001 58.200 -0.039 0.000 0.974 185 S CB -0.502 62.691 63.200 -0.012 0.000 0.868 185 S HN 0.513 nan 8.310 nan 0.000 0.459 186 E N 1.377 121.530 120.200 -0.079 0.000 2.187 186 E HA -0.179 4.169 4.350 -0.004 0.000 0.199 186 E C 1.831 178.385 176.600 -0.075 0.000 1.004 186 E CA 1.584 57.943 56.400 -0.068 0.000 0.813 186 E CB -0.503 29.147 29.700 -0.084 0.000 0.736 186 E HN 0.710 nan 8.360 nan 0.000 0.468 187 I N 0.249 120.743 120.570 -0.128 0.000 2.286 187 I HA -0.149 4.019 4.170 -0.004 0.000 0.245 187 I C 1.522 177.533 176.117 -0.176 0.000 1.104 187 I CA 0.719 61.868 61.300 -0.251 0.000 1.397 187 I CB -0.015 37.767 38.000 -0.363 0.000 1.072 187 I HN 0.008 nan 8.210 nan 0.000 0.417 188 S N 1.109 116.757 115.700 -0.087 0.000 3.054 188 S HA -0.057 4.410 4.470 -0.004 0.000 0.243 188 S C 1.268 175.898 174.600 0.050 0.000 1.013 188 S CA 0.337 58.529 58.200 -0.014 0.000 1.119 188 S CB -0.448 62.755 63.200 0.007 0.000 0.838 188 S HN 0.308 nan 8.310 nan 0.000 0.505 189 E N 1.832 122.049 120.200 0.028 0.000 2.035 189 E HA 0.026 4.374 4.350 -0.004 0.000 0.191 189 E C 1.182 177.858 176.600 0.127 0.000 0.966 189 E CA 0.334 56.773 56.400 0.065 0.000 0.823 189 E CB -0.921 28.797 29.700 0.031 0.000 0.791 189 E HN 0.519 nan 8.360 nan 0.000 0.459 190 S N 1.986 117.761 115.700 0.126 0.000 3.074 190 S HA -0.159 4.309 4.470 -0.004 0.000 0.359 190 S C -0.123 174.582 174.600 0.176 0.000 1.207 190 S CA 0.059 58.367 58.200 0.180 0.000 1.061 190 S CB -0.340 63.062 63.200 0.336 0.000 0.769 190 S HN 0.175 nan 8.310 nan 0.000 0.512 191 H N 5.496 124.590 119.070 0.040 0.000 2.818 191 H HA 0.384 4.938 4.556 -0.004 0.000 0.269 191 H C -1.807 173.536 175.328 0.025 0.000 1.277 191 H CA -1.890 54.172 56.048 0.024 0.000 1.290 191 H CB 0.830 30.600 29.762 0.013 0.000 1.479 191 H HN 0.570 nan 8.280 nan 0.000 0.507 192 P HA 0.102 nan 4.420 nan 0.000 0.228 192 P C -0.097 177.056 177.300 -0.245 0.000 1.764 192 P CA -0.063 62.970 63.100 -0.111 0.000 0.929 192 P CB 0.227 31.894 31.700 -0.056 0.000 1.675 193 N N -0.599 117.777 118.700 -0.540 0.000 2.640 193 N HA -0.235 4.503 4.740 -0.004 0.000 0.230 193 N C 0.923 176.168 175.510 -0.442 0.000 0.779 193 N CA 2.069 54.750 53.050 -0.615 0.000 1.874 193 N CB -2.075 36.317 38.487 -0.158 0.000 0.895 193 N HN 0.332 nan 8.380 nan 0.000 0.574 194 S N 1.410 116.950 115.700 -0.267 0.000 2.967 194 S HA 0.138 4.606 4.470 -0.004 0.000 0.254 194 S C 0.233 174.754 174.600 -0.133 0.000 1.089 194 S CA -0.328 57.785 58.200 -0.145 0.000 1.183 194 S CB -0.723 62.425 63.200 -0.085 0.000 0.848 194 S HN 0.344 nan 8.310 nan 0.000 0.477 195 N N 0.953 119.536 118.700 -0.194 0.000 2.381 195 N HA 0.462 5.200 4.740 -0.004 0.000 0.254 195 N C 0.914 176.432 175.510 0.012 0.000 1.264 195 N CA 0.164 53.178 53.050 -0.060 0.000 0.942 195 N CB 0.599 39.116 38.487 0.049 0.000 1.190 195 N HN 0.282 nan 8.380 nan 0.000 0.495 196 L N -0.896 120.346 121.223 0.031 0.000 3.015 196 L HA -0.405 3.933 4.340 -0.004 0.000 0.389 196 L C 0.082 176.969 176.870 0.029 0.000 0.737 196 L CA 1.370 56.235 54.840 0.041 0.000 3.213 196 L CB -0.746 41.350 42.059 0.062 0.000 0.600 196 L HN 0.515 nan 8.230 nan 0.000 0.774 197 L N -1.984 119.248 121.223 0.015 0.000 2.590 197 L HA -0.261 4.077 4.340 -0.004 0.000 0.437 197 L C 0.851 177.735 176.870 0.022 0.000 0.699 197 L CA 2.519 57.364 54.840 0.007 0.000 3.223 197 L CB -2.087 39.973 42.059 0.001 0.000 0.615 197 L HN 0.965 nan 8.230 nan 0.000 0.771 198 D N -0.459 119.968 120.400 0.044 0.000 4.025 198 D HA 0.425 5.063 4.640 -0.004 0.000 0.167 198 D C 0.169 176.530 176.300 0.101 0.000 1.615 198 D CA 0.268 54.302 54.000 0.056 0.000 1.307 198 D CB -0.216 40.608 40.800 0.041 0.000 1.894 198 D HN 0.289 nan 8.370 nan 0.000 0.459 199 L N 0.314 121.596 121.223 0.098 0.000 1.712 199 L HA -0.026 4.312 4.340 -0.004 0.000 0.402 199 L C -0.700 176.310 176.870 0.234 0.000 1.004 199 L CA 0.601 55.516 54.840 0.125 0.000 1.208 199 L CB -2.787 39.355 42.059 0.138 0.000 0.528 199 L HN 0.946 nan 8.230 nan 0.000 0.369 200 N N 1.553 120.312 118.700 0.098 0.000 3.575 200 N HA 0.740 5.478 4.740 -0.004 0.000 0.343 200 N C -2.695 172.792 175.510 -0.038 0.000 1.574 200 N CA -0.751 52.381 53.050 0.137 0.000 0.832 200 N CB 0.169 38.728 38.487 0.119 0.000 2.151 200 N HN 0.286 nan 8.380 nan 0.000 0.552 201 P HA -0.271 nan 4.420 nan 0.000 0.205 201 P C 1.053 178.324 177.300 -0.049 0.000 1.046 201 P CA 2.006 65.088 63.100 -0.029 0.000 0.968 201 P CB -0.174 31.527 31.700 0.003 0.000 0.753 202 Q N -0.587 119.198 119.800 -0.025 0.000 2.045 202 Q HA -0.202 4.136 4.340 -0.004 0.000 0.206 202 Q C 2.133 178.113 176.000 -0.034 0.000 0.991 202 Q CA 2.188 57.977 55.803 -0.023 0.000 0.851 202 Q CB -0.843 27.890 28.738 -0.009 0.000 0.911 202 Q HN 0.402 nan 8.270 nan 0.000 0.418 203 N N -0.171 118.508 118.700 -0.034 0.000 2.018 203 N HA -0.215 4.523 4.740 -0.004 0.000 0.196 203 N C 1.823 177.289 175.510 -0.073 0.000 1.043 203 N CA 1.493 54.520 53.050 -0.038 0.000 0.856 203 N CB -0.347 38.125 38.487 -0.024 0.000 1.042 203 N HN 0.214 nan 8.380 nan 0.000 0.423 204 I N 1.617 122.102 120.570 -0.141 0.000 2.179 204 I HA -0.247 3.921 4.170 -0.004 0.000 0.242 204 I C 1.977 178.019 176.117 -0.124 0.000 1.088 204 I CA 1.203 62.384 61.300 -0.199 0.000 1.357 204 I CB -0.429 37.324 38.000 -0.412 0.000 1.051 204 I HN 0.228 nan 8.210 nan 0.000 0.409 205 N N 0.564 119.206 118.700 -0.097 0.000 2.058 205 N HA -0.201 4.536 4.740 -0.004 0.000 0.191 205 N C 1.832 177.316 175.510 -0.043 0.000 1.037 205 N CA 1.046 54.058 53.050 -0.064 0.000 0.848 205 N CB -0.031 38.426 38.487 -0.050 0.000 1.021 205 N HN 0.277 nan 8.380 nan 0.000 0.422 206 K N 0.908 121.288 120.400 -0.035 0.000 2.044 206 K HA -0.166 4.152 4.320 -0.004 0.000 0.210 206 K C 2.079 178.671 176.600 -0.014 0.000 1.049 206 K CA 1.023 57.299 56.287 -0.019 0.000 0.927 206 K CB -0.407 32.086 32.500 -0.012 0.000 0.713 206 K HN 0.100 nan 8.250 nan 0.000 0.443 207 L N 0.938 122.148 121.223 -0.022 0.000 2.079 207 L HA -0.185 4.153 4.340 -0.004 0.000 0.210 207 L C 2.269 179.135 176.870 -0.007 0.000 1.081 207 L CA 1.346 56.180 54.840 -0.010 0.000 0.752 207 L CB -0.385 41.662 42.059 -0.019 0.000 0.896 207 L HN 0.124 nan 8.230 nan 0.000 0.433 208 L N -1.898 119.310 121.223 -0.025 0.000 2.044 208 L HA -0.176 4.162 4.340 -0.004 0.000 0.205 208 L C 2.400 179.263 176.870 -0.012 0.000 1.075 208 L CA 1.491 56.320 54.840 -0.019 0.000 0.747 208 L CB -1.006 41.032 42.059 -0.035 0.000 0.903 208 L HN 0.187 nan 8.230 nan 0.000 0.435 209 T N 0.155 114.700 114.554 -0.015 0.000 2.737 209 T HA -0.267 4.081 4.350 -0.004 0.000 0.269 209 T C 2.007 176.707 174.700 -0.001 0.000 1.040 209 T CA 1.390 63.484 62.100 -0.010 0.000 1.142 209 T CB -0.379 68.482 68.868 -0.011 0.000 0.861 209 T HN 0.458 nan 8.240 nan 0.000 0.456 210 A N 1.644 124.467 122.820 0.006 0.000 1.883 210 A HA -0.087 4.231 4.320 -0.004 0.000 0.217 210 A C 2.225 179.821 177.584 0.020 0.000 1.186 210 A CA 1.414 53.462 52.037 0.019 0.000 0.624 210 A CB -0.999 18.019 19.000 0.030 0.000 0.822 210 A HN 0.371 nan 8.150 nan 0.000 0.444 211 L N 0.672 121.905 121.223 0.017 0.000 2.034 211 L HA -0.261 4.077 4.340 -0.004 0.000 0.217 211 L C 2.033 178.907 176.870 0.007 0.000 1.077 211 L CA 2.166 57.017 54.840 0.019 0.000 0.769 211 L CB -1.249 40.820 42.059 0.016 0.000 0.890 211 L HN 0.429 nan 8.230 nan 0.000 0.435 212 N N 0.094 118.791 118.700 -0.005 0.000 2.009 212 N HA -0.162 4.576 4.740 -0.004 0.000 0.195 212 N C 1.243 176.749 175.510 -0.008 0.000 1.076 212 N CA 1.406 54.445 53.050 -0.017 0.000 0.863 212 N CB -0.572 37.903 38.487 -0.021 0.000 1.062 212 N HN 0.307 nan 8.380 nan 0.000 0.425 213 E N 0.469 120.669 120.200 0.000 0.000 2.401 213 E HA -0.033 4.315 4.350 -0.004 0.000 0.203 213 E C 0.457 177.070 176.600 0.023 0.000 1.229 213 E CA -0.061 56.344 56.400 0.008 0.000 1.000 213 E CB -0.830 28.876 29.700 0.009 0.000 1.052 213 E HN 0.242 nan 8.360 nan 0.000 0.497 214 C N -1.351 117.966 119.300 0.028 0.000 2.942 214 C HA 0.590 5.048 4.460 -0.004 0.000 0.353 214 C C 0.553 175.570 174.990 0.044 0.000 2.933 214 C CA -0.315 58.730 59.018 0.045 0.000 1.840 214 C CB 1.682 29.454 27.740 0.054 0.000 2.833 214 C HN 0.305 nan 8.230 nan 0.000 0.440 215 T N -0.450 114.129 114.554 0.041 0.000 2.907 215 T HA 0.303 4.651 4.350 -0.004 0.000 0.292 215 T C 0.564 175.198 174.700 -0.110 0.000 1.043 215 T CA -0.073 62.030 62.100 0.006 0.000 1.003 215 T CB 1.343 70.246 68.868 0.059 0.000 1.084 215 T HN 0.767 nan 8.240 nan 0.000 0.483 216 E N 1.576 121.597 120.200 -0.299 0.000 2.520 216 E HA -0.326 4.022 4.350 -0.004 0.000 0.248 216 E C 1.349 177.570 176.600 -0.631 0.000 0.958 216 E CA 3.044 58.991 56.400 -0.755 0.000 1.105 216 E CB -0.382 28.521 29.700 -1.327 0.000 1.086 216 E HN 0.840 nan 8.360 nan 0.000 0.523 217 W N -0.340 120.740 121.300 -0.368 0.000 2.302 217 W HA -0.194 4.464 4.660 -0.003 0.000 0.320 217 W C 2.487 178.437 176.519 -0.947 0.000 1.241 217 W CA 0.591 57.526 57.345 -0.684 0.000 1.264 217 W CB -1.216 27.905 29.460 -0.566 0.000 1.154 217 W HN 0.373 nan 8.180 nan 0.000 0.483 218 G N 0.578 109.252 108.800 -0.210 0.000 2.574 218 G HA2 -0.366 3.592 3.960 -0.004 0.000 0.220 218 G HA3 -0.366 3.592 3.960 -0.004 0.000 0.220 218 G C 1.334 176.223 174.900 -0.018 0.000 1.173 218 G CA 1.648 46.751 45.100 0.005 0.000 0.772 218 G HN 0.391 nan 8.290 nan 0.000 0.585 219 Q N -0.027 119.734 119.800 -0.066 0.000 1.985 219 Q HA -0.140 4.198 4.340 -0.004 0.000 0.207 219 Q C 2.697 178.671 176.000 -0.043 0.000 0.996 219 Q CA 1.689 57.475 55.803 -0.027 0.000 0.851 219 Q CB -0.385 28.350 28.738 -0.005 0.000 0.921 219 Q HN 0.571 nan 8.270 nan 0.000 0.418 220 I N 0.280 120.758 120.570 -0.154 0.000 2.236 220 I HA -0.321 3.847 4.170 -0.004 0.000 0.249 220 I C 2.142 178.297 176.117 0.064 0.000 1.102 220 I CA 1.536 62.783 61.300 -0.089 0.000 1.365 220 I CB -0.487 37.426 38.000 -0.145 0.000 1.051 220 I HN 0.188 nan 8.210 nan 0.000 0.420 221 F N 0.570 120.578 119.950 0.096 0.000 2.134 221 F HA -0.214 4.311 4.527 -0.003 0.000 0.299 221 F C 2.428 178.264 175.800 0.059 0.000 1.097 221 F CA 0.864 58.909 58.000 0.075 0.000 1.264 221 F CB -0.484 38.561 39.000 0.074 0.000 1.001 221 F HN -0.019 nan 8.300 nan 0.000 0.479 222 I N 0.341 121.040 120.570 0.215 0.000 2.315 222 I HA -0.276 3.892 4.170 -0.004 0.000 0.248 222 I C 2.176 178.360 176.117 0.112 0.000 1.117 222 I CA 0.966 62.348 61.300 0.136 0.000 1.404 222 I CB -0.451 37.605 38.000 0.093 0.000 1.071 222 I HN 0.136 nan 8.210 nan 0.000 0.419 223 L N -0.236 121.047 121.223 0.101 0.000 2.023 223 L HA -0.125 4.213 4.340 -0.004 0.000 0.205 223 L C 1.898 178.826 176.870 0.096 0.000 1.073 223 L CA 1.320 56.214 54.840 0.090 0.000 0.745 223 L CB -1.118 40.980 42.059 0.066 0.000 0.900 223 L HN 0.215 nan 8.230 nan 0.000 0.435 224 D N -0.232 120.237 120.400 0.114 0.000 2.310 224 D HA -0.134 4.504 4.640 -0.004 0.000 0.212 224 D C 2.122 178.488 176.300 0.110 0.000 0.965 224 D CA 0.803 54.871 54.000 0.113 0.000 0.879 224 D CB -0.041 40.850 40.800 0.151 0.000 0.921 224 D HN 0.384 nan 8.370 nan 0.000 0.510 225 C N -0.096 119.278 119.300 0.123 0.000 2.675 225 C HA 0.030 4.488 4.460 -0.004 0.000 0.285 225 C C 2.680 177.733 174.990 0.105 0.000 1.282 225 C CA 0.088 59.169 59.018 0.104 0.000 1.708 225 C CB -1.205 26.597 27.740 0.103 0.000 2.134 225 C HN 0.269 nan 8.230 nan 0.000 0.494 226 L N 1.711 123.004 121.223 0.116 0.000 2.270 226 L HA -0.132 4.206 4.340 -0.004 0.000 0.217 226 L C 2.470 179.452 176.870 0.186 0.000 1.107 226 L CA 1.748 56.681 54.840 0.155 0.000 0.772 226 L CB -0.471 41.676 42.059 0.148 0.000 0.902 226 L HN 0.613 nan 8.230 nan 0.000 0.439 227 S N -0.293 115.465 115.700 0.097 0.000 2.988 227 S HA -0.090 4.378 4.470 -0.004 0.000 0.237 227 S C 1.122 175.721 174.600 -0.003 0.000 0.989 227 S CA 0.631 58.834 58.200 0.004 0.000 1.054 227 S CB -0.448 62.725 63.200 -0.046 0.000 0.818 227 S HN 0.478 nan 8.310 nan 0.000 0.526 228 N N -0.618 118.149 118.700 0.112 0.000 2.028 228 N HA 0.115 4.853 4.740 -0.004 0.000 0.230 228 N C -0.685 174.932 175.510 0.178 0.000 1.354 228 N CA -0.226 52.885 53.050 0.102 0.000 0.855 228 N CB 0.199 38.738 38.487 0.086 0.000 1.111 228 N HN 0.497 nan 8.380 nan 0.000 0.480 229 Y N 2.355 122.746 120.300 0.153 0.000 2.411 229 Y HA 0.225 4.773 4.550 -0.004 0.000 0.333 229 Y C -0.234 175.792 175.900 0.210 0.000 1.186 229 Y CA 0.088 58.280 58.100 0.154 0.000 1.381 229 Y CB 0.392 38.936 38.460 0.141 0.000 1.273 229 Y HN -0.111 nan 8.280 nan 0.000 0.546 230 N N 7.975 126.366 118.700 -0.515 0.000 2.546 230 N HA 0.279 5.017 4.740 -0.004 0.000 0.238 230 N C -2.866 172.317 175.510 -0.547 0.000 0.984 230 N CA -1.641 51.210 53.050 -0.332 0.000 0.935 230 N CB 1.149 39.511 38.487 -0.208 0.000 1.122 230 N HN 0.397 nan 8.380 nan 0.000 0.510 231 P HA 0.173 nan 4.420 nan 0.000 0.276 231 P C 1.025 178.297 177.300 -0.047 0.000 1.235 231 P CA -0.435 62.639 63.100 -0.042 0.000 0.772 231 P CB 1.445 33.150 31.700 0.008 0.000 0.871 232 K N 2.185 122.576 120.400 -0.016 0.000 1.988 232 K HA -0.146 4.172 4.320 -0.004 0.000 0.221 232 K C 0.950 177.553 176.600 0.005 0.000 1.053 232 K CA 2.031 58.312 56.287 -0.009 0.000 0.959 232 K CB -0.342 32.167 32.500 0.015 0.000 0.728 232 K HN 0.714 nan 8.250 nan 0.000 0.447 233 D N -1.853 118.558 120.400 0.018 0.000 3.107 233 D HA 0.058 4.696 4.640 -0.004 0.000 0.197 233 D C 0.675 176.992 176.300 0.029 0.000 1.221 233 D CA -0.249 53.764 54.000 0.022 0.000 1.209 233 D CB -0.142 40.670 40.800 0.021 0.000 1.096 233 D HN -0.160 nan 8.370 nan 0.000 0.456 234 D N -1.403 119.016 120.400 0.031 0.000 2.473 234 D HA 0.166 4.804 4.640 -0.004 0.000 0.230 234 D C 2.102 178.419 176.300 0.030 0.000 1.097 234 D CA -0.063 53.961 54.000 0.040 0.000 0.861 234 D CB 1.033 41.868 40.800 0.058 0.000 1.114 234 D HN 0.184 nan 8.370 nan 0.000 0.500 235 R N 1.213 121.725 120.500 0.019 0.000 2.122 235 R HA -0.186 4.152 4.340 -0.004 0.000 0.236 235 R C 2.062 178.357 176.300 -0.007 0.000 1.129 235 R CA 1.705 57.809 56.100 0.007 0.000 0.925 235 R CB -0.178 30.125 30.300 0.005 0.000 0.850 235 R HN 0.172 nan 8.270 nan 0.000 0.431 236 E N -0.020 120.177 120.200 -0.005 0.000 2.033 236 E HA -0.273 4.075 4.350 -0.004 0.000 0.199 236 E C 2.001 178.547 176.600 -0.091 0.000 1.011 236 E CA 1.593 57.978 56.400 -0.024 0.000 0.815 236 E CB -0.158 29.565 29.700 0.039 0.000 0.755 236 E HN 0.419 nan 8.360 nan 0.000 0.451 237 A N 0.888 123.655 122.820 -0.088 0.000 1.881 237 A HA -0.337 3.981 4.320 -0.004 0.000 0.219 237 A C 2.151 179.706 177.584 -0.048 0.000 1.215 237 A CA 2.107 54.065 52.037 -0.132 0.000 0.648 237 A CB -0.799 18.202 19.000 0.001 0.000 0.832 237 A HN 0.325 nan 8.150 nan 0.000 0.455 238 Q N -0.324 119.500 119.800 0.039 0.000 1.917 238 Q HA -0.159 4.179 4.340 -0.004 0.000 0.205 238 Q C 2.647 178.654 176.000 0.012 0.000 0.988 238 Q CA 2.210 58.070 55.803 0.095 0.000 0.851 238 Q CB -0.826 27.941 28.738 0.048 0.000 0.916 238 Q HN 0.838 nan 8.270 nan 0.000 0.424 239 S N 0.427 116.105 115.700 -0.037 0.000 2.440 239 S HA -0.117 4.351 4.470 -0.004 0.000 0.238 239 S C 2.020 176.585 174.600 -0.059 0.000 1.010 239 S CA 0.864 59.029 58.200 -0.057 0.000 0.972 239 S CB -0.480 62.687 63.200 -0.054 0.000 0.774 239 S HN 0.252 nan 8.310 nan 0.000 0.501 240 I N 1.117 121.637 120.570 -0.085 0.000 2.162 240 I HA -0.171 3.997 4.170 -0.004 0.000 0.238 240 I C 2.539 178.635 176.117 -0.034 0.000 1.076 240 I CA 1.038 62.269 61.300 -0.115 0.000 1.353 240 I CB -0.690 37.153 38.000 -0.262 0.000 1.063 240 I HN 0.386 nan 8.210 nan 0.000 0.408 241 C N 0.732 120.042 119.300 0.018 0.000 2.401 241 C HA -0.200 4.258 4.460 -0.004 0.000 0.276 241 C C 2.648 177.744 174.990 0.177 0.000 1.233 241 C CA 1.061 60.183 59.018 0.174 0.000 1.753 241 C CB -1.218 26.710 27.740 0.314 0.000 2.029 241 C HN 0.503 nan 8.230 nan 0.000 0.478 242 E N 0.031 120.288 120.200 0.094 0.000 2.028 242 E HA -0.132 4.216 4.350 -0.004 0.000 0.191 242 E C 2.537 179.136 176.600 -0.001 0.000 0.988 242 E CA 0.703 57.104 56.400 0.001 0.000 0.799 242 E CB -0.149 29.481 29.700 -0.117 0.000 0.755 242 E HN 0.334 nan 8.360 nan 0.000 0.447 243 R N 0.428 120.919 120.500 -0.016 0.000 2.154 243 R HA -0.148 4.190 4.340 -0.004 0.000 0.248 243 R C 2.170 178.471 176.300 0.001 0.000 1.155 243 R CA 0.862 56.951 56.100 -0.019 0.000 0.979 243 R CB -0.719 29.561 30.300 -0.033 0.000 0.869 243 R HN 0.167 nan 8.270 nan 0.000 0.452 244 V N -0.140 119.790 119.914 0.026 0.000 2.379 244 V HA -0.153 3.965 4.120 -0.004 0.000 0.243 244 V C 2.129 178.252 176.094 0.049 0.000 1.035 244 V CA 1.757 64.086 62.300 0.048 0.000 1.035 244 V CB -0.593 31.283 31.823 0.089 0.000 0.673 244 V HN 0.315 nan 8.190 nan 0.000 0.457 245 T N 0.695 115.289 114.554 0.067 0.000 2.634 245 T HA -0.244 4.103 4.350 -0.004 0.000 0.256 245 T C -0.349 174.375 174.700 0.039 0.000 1.131 245 T CA 2.530 64.674 62.100 0.072 0.000 1.149 245 T CB -1.812 67.110 68.868 0.090 0.000 0.849 245 T HN 0.373 nan 8.240 nan 0.000 0.457 246 P HA -0.095 nan 4.420 nan 0.000 0.250 246 P C 0.244 177.538 177.300 -0.010 0.000 1.217 246 P CA 0.927 64.023 63.100 -0.006 0.000 0.762 246 P CB -0.256 31.429 31.700 -0.024 0.000 0.953 247 R N -0.488 120.017 120.500 0.009 0.000 4.141 247 R HA 0.200 4.538 4.340 -0.004 0.000 0.281 247 R C -0.001 176.307 176.300 0.013 0.000 1.608 247 R CA -0.658 55.449 56.100 0.012 0.000 1.426 247 R CB -1.244 29.073 30.300 0.028 0.000 1.432 247 R HN 0.081 nan 8.270 nan 0.000 0.708 248 L N 0.667 121.891 121.223 0.001 0.000 2.391 248 L HA 0.220 4.557 4.340 -0.004 0.000 0.249 248 L C -0.089 176.777 176.870 -0.006 0.000 1.308 248 L CA 0.465 55.305 54.840 -0.001 0.000 1.209 248 L CB -0.560 41.495 42.059 -0.007 0.000 1.401 248 L HN 0.214 nan 8.230 nan 0.000 0.416 249 S N -1.137 114.574 115.700 0.018 0.000 2.874 249 S HA 0.506 4.974 4.470 -0.004 0.000 0.318 249 S C 0.693 175.370 174.600 0.129 0.000 1.109 249 S CA -0.443 57.790 58.200 0.055 0.000 0.878 249 S CB 1.192 64.457 63.200 0.108 0.000 1.307 249 S HN 0.598 nan 8.310 nan 0.000 0.592 250 H N -0.279 118.736 119.070 -0.092 0.000 2.393 250 H HA 0.423 4.977 4.556 -0.003 0.000 0.301 250 H C 1.550 176.784 175.328 -0.157 0.000 1.019 250 H CA 0.777 56.757 56.048 -0.114 0.000 1.311 250 H CB -1.318 28.370 29.762 -0.123 0.000 1.475 250 H HN 0.557 nan 8.280 nan 0.000 0.572 251 A N 1.601 124.019 122.820 -0.670 0.000 2.283 251 A HA -0.177 4.141 4.320 -0.004 0.000 0.203 251 A C 0.881 178.281 177.584 -0.307 0.000 1.297 251 A CA 0.743 52.397 52.037 -0.639 0.000 0.828 251 A CB -1.828 16.743 19.000 -0.715 0.000 0.749 251 A HN 0.699 nan 8.150 nan 0.000 0.511 252 N N -0.342 118.253 118.700 -0.175 0.000 0.971 252 N HA -0.349 4.389 4.740 -0.004 0.000 0.147 252 N C 1.537 177.011 175.510 -0.060 0.000 0.410 252 N CA 1.370 54.377 53.050 -0.071 0.000 0.840 252 N CB -0.707 37.759 38.487 -0.035 0.000 1.601 252 N HN 0.397 nan 8.380 nan 0.000 0.644 253 S N 0.211 115.896 115.700 -0.025 0.000 1.803 253 S HA -0.401 4.067 4.470 -0.004 0.000 0.531 253 S C 1.757 176.346 174.600 -0.018 0.000 0.919 253 S CA 2.289 60.485 58.200 -0.006 0.000 3.338 253 S CB -1.486 61.721 63.200 0.012 0.000 2.326 253 S HN 0.798 nan 8.310 nan 0.000 0.574 254 A N 0.923 123.733 122.820 -0.017 0.000 1.883 254 A HA -0.327 3.991 4.320 -0.004 0.000 0.269 254 A C 2.285 179.846 177.584 -0.037 0.000 2.559 254 A CA 3.456 55.482 52.037 -0.019 0.000 0.908 254 A CB -1.666 17.319 19.000 -0.026 0.000 0.807 254 A HN 0.689 nan 8.150 nan 0.000 0.505 255 V N -0.981 118.880 119.914 -0.089 0.000 2.255 255 V HA -0.278 3.839 4.120 -0.004 0.000 0.247 255 V C 2.569 178.661 176.094 -0.004 0.000 1.051 255 V CA 2.182 64.453 62.300 -0.049 0.000 1.018 255 V CB -0.942 30.861 31.823 -0.033 0.000 0.641 255 V HN 0.465 nan 8.190 nan 0.000 0.445 256 V N -0.479 119.434 119.914 -0.003 0.000 2.233 256 V HA -0.301 3.817 4.120 -0.004 0.000 0.247 256 V C 2.326 178.424 176.094 0.007 0.000 1.050 256 V CA 2.329 64.635 62.300 0.009 0.000 1.010 256 V CB -0.504 31.325 31.823 0.010 0.000 0.637 256 V HN 0.430 nan 8.190 nan 0.000 0.444 257 L N -0.419 120.806 121.223 0.004 0.000 1.989 257 L HA -0.224 4.114 4.340 -0.004 0.000 0.211 257 L C 2.685 179.557 176.870 0.004 0.000 1.071 257 L CA 2.033 56.876 54.840 0.004 0.000 0.749 257 L CB -0.642 41.421 42.059 0.006 0.000 0.890 257 L HN 0.326 nan 8.230 nan 0.000 0.431 258 S N -0.395 115.311 115.700 0.011 0.000 2.365 258 S HA -0.267 4.201 4.470 -0.004 0.000 0.225 258 S C 2.132 176.741 174.600 0.016 0.000 1.039 258 S CA 1.224 59.434 58.200 0.017 0.000 1.033 258 S CB -0.455 62.763 63.200 0.030 0.000 0.887 258 S HN 0.535 nan 8.310 nan 0.000 0.447 259 A N 1.556 124.389 122.820 0.022 0.000 1.882 259 A HA -0.222 4.096 4.320 -0.004 0.000 0.220 259 A C 2.341 179.933 177.584 0.013 0.000 1.253 259 A CA 2.503 54.556 52.037 0.028 0.000 0.664 259 A CB -1.486 17.530 19.000 0.026 0.000 0.838 259 A HN 0.405 nan 8.150 nan 0.000 0.460 260 V N 0.015 119.928 119.914 -0.001 0.000 2.380 260 V HA -0.328 3.790 4.120 -0.004 0.000 0.251 260 V C 2.452 178.518 176.094 -0.047 0.000 1.063 260 V CA 2.627 64.914 62.300 -0.022 0.000 1.055 260 V CB -0.912 30.899 31.823 -0.020 0.000 0.657 260 V HN 0.658 nan 8.190 nan 0.000 0.455 261 K N 0.214 120.588 120.400 -0.043 0.000 1.973 261 K HA -0.121 4.197 4.320 -0.004 0.000 0.210 261 K C 2.156 178.678 176.600 -0.129 0.000 1.045 261 K CA 1.704 57.946 56.287 -0.076 0.000 0.937 261 K CB -0.275 32.195 32.500 -0.049 0.000 0.721 261 K HN 0.326 nan 8.250 nan 0.000 0.438 262 V N 2.090 121.950 119.914 -0.091 0.000 2.278 262 V HA -0.318 3.800 4.120 -0.004 0.000 0.251 262 V C 2.429 178.423 176.094 -0.168 0.000 1.062 262 V CA 1.873 64.102 62.300 -0.117 0.000 1.038 262 V CB -0.521 31.352 31.823 0.082 0.000 0.646 262 V HN 0.341 nan 8.190 nan 0.000 0.447 263 L N -1.480 119.721 121.223 -0.036 0.000 2.007 263 L HA -0.142 4.196 4.340 -0.004 0.000 0.205 263 L C 2.682 179.499 176.870 -0.088 0.000 1.073 263 L CA 1.482 56.329 54.840 0.012 0.000 0.744 263 L CB -0.459 41.611 42.059 0.018 0.000 0.898 263 L HN 0.275 nan 8.230 nan 0.000 0.435 264 M N -0.135 119.393 119.600 -0.119 0.000 2.192 264 M HA -0.309 4.169 4.480 -0.004 0.000 0.259 264 M C 2.241 178.426 176.300 -0.191 0.000 1.071 264 M CA 1.722 56.936 55.300 -0.143 0.000 1.082 264 M CB -0.826 31.703 32.600 -0.119 0.000 1.373 264 M HN 0.236 nan 8.290 nan 0.000 0.408 265 K N -0.140 120.080 120.400 -0.300 0.000 2.002 265 K HA -0.150 4.168 4.320 -0.004 0.000 0.209 265 K C 1.087 177.467 176.600 -0.367 0.000 1.048 265 K CA 1.303 57.332 56.287 -0.430 0.000 0.930 265 K CB -0.117 31.966 32.500 -0.694 0.000 0.714 265 K HN 0.181 nan 8.250 nan 0.000 0.438 266 F N 1.482 121.405 119.950 -0.045 0.000 2.703 266 F HA 0.088 4.613 4.527 -0.004 0.000 0.299 266 F C -0.137 175.622 175.800 -0.070 0.000 1.229 266 F CA -0.114 57.867 58.000 -0.032 0.000 1.430 266 F CB -0.167 38.834 39.000 0.002 0.000 1.053 266 F HN -0.064 nan 8.300 nan 0.000 0.513 267 L N 2.046 123.262 121.223 -0.013 0.000 2.328 267 L HA 0.221 4.559 4.340 -0.004 0.000 0.280 267 L C 1.077 177.980 176.870 0.054 0.000 1.111 267 L CA -0.140 54.669 54.840 -0.051 0.000 0.909 267 L CB -0.258 41.685 42.059 -0.194 0.000 1.277 267 L HN 0.248 nan 8.230 nan 0.000 0.433 268 E N 2.595 122.867 120.200 0.120 0.000 3.001 268 E HA 0.018 4.366 4.350 -0.004 0.000 0.211 268 E C 0.302 176.990 176.600 0.146 0.000 1.026 268 E CA -0.177 56.294 56.400 0.118 0.000 1.614 268 E CB -0.312 29.441 29.700 0.088 0.000 1.672 268 E HN 0.184 nan 8.360 nan 0.000 0.869 269 L N 3.359 124.677 121.223 0.157 0.000 2.841 269 L HA 0.094 4.432 4.340 -0.004 0.000 0.282 269 L C 0.676 177.632 176.870 0.144 0.000 1.130 269 L CA 0.029 54.959 54.840 0.149 0.000 0.996 269 L CB -1.690 40.466 42.059 0.162 0.000 1.364 269 L HN 0.134 nan 8.230 nan 0.000 0.466 270 L N 6.281 127.541 121.223 0.061 0.000 2.906 270 L HA -0.188 4.150 4.340 -0.004 0.000 0.292 270 L C -0.543 176.246 176.870 -0.135 0.000 1.130 270 L CA -0.241 54.593 54.840 -0.010 0.000 0.940 270 L CB -0.192 41.858 42.059 -0.015 0.000 1.336 270 L HN 0.602 nan 8.230 nan 0.000 0.469 271 P HA -0.258 nan 4.420 nan 0.000 0.232 271 P C -0.305 176.450 177.300 -0.909 0.000 1.150 271 P CA 1.795 64.542 63.100 -0.588 0.000 0.911 271 P CB 0.087 31.624 31.700 -0.271 0.000 0.776 272 K N -0.436 119.701 120.400 -0.440 0.000 2.592 272 K HA 0.208 4.526 4.320 -0.004 0.000 0.212 272 K C -0.662 175.854 176.600 -0.140 0.000 1.013 272 K CA -0.407 55.696 56.287 -0.306 0.000 1.034 272 K CB 1.014 33.403 32.500 -0.185 0.000 1.292 272 K HN 0.043 nan 8.250 nan 0.000 0.521 273 D N -0.222 120.129 120.400 -0.083 0.000 2.507 273 D HA 0.114 4.752 4.640 -0.004 0.000 0.280 273 D C -0.068 176.262 176.300 0.050 0.000 1.219 273 D CA -0.537 53.473 54.000 0.017 0.000 1.085 273 D CB 0.515 41.365 40.800 0.083 0.000 1.134 273 D HN -0.010 nan 8.370 nan 0.000 0.583 274 S N 0.800 116.543 115.700 0.072 0.000 2.898 274 S HA -0.013 4.455 4.470 -0.004 0.000 0.324 274 S C -0.501 174.177 174.600 0.129 0.000 1.171 274 S CA -0.063 58.185 58.200 0.079 0.000 1.288 274 S CB -0.666 62.574 63.200 0.066 0.000 1.490 274 S HN 0.240 nan 8.310 nan 0.000 0.570 275 D N 2.274 122.747 120.400 0.122 0.000 2.817 275 D HA -0.056 4.582 4.640 -0.004 0.000 0.226 275 D C 0.921 177.365 176.300 0.240 0.000 1.080 275 D CA 0.214 54.318 54.000 0.174 0.000 1.114 275 D CB -0.447 40.429 40.800 0.128 0.000 1.159 275 D HN 0.707 nan 8.370 nan 0.000 0.449 276 Y N 0.555 120.912 120.300 0.095 0.000 2.069 276 Y HA -0.448 4.100 4.550 -0.004 0.000 0.278 276 Y C 2.086 178.055 175.900 0.116 0.000 1.175 276 Y CA 1.411 59.559 58.100 0.081 0.000 1.134 276 Y CB -0.171 38.328 38.460 0.065 0.000 0.965 276 Y HN 0.282 nan 8.280 nan 0.000 0.498 277 Y N 1.438 121.713 120.300 -0.042 0.000 2.062 277 Y HA -0.451 4.097 4.550 -0.004 0.000 0.273 277 Y C 2.168 178.007 175.900 -0.101 0.000 1.206 277 Y CA 2.562 60.576 58.100 -0.142 0.000 1.125 277 Y CB -0.734 37.697 38.460 -0.049 0.000 0.951 277 Y HN 0.316 nan 8.280 nan 0.000 0.501 278 N N -0.358 118.508 118.700 0.278 0.000 2.333 278 N HA -0.114 4.624 4.740 -0.004 0.000 0.178 278 N C 1.959 177.529 175.510 0.099 0.000 1.018 278 N CA 0.824 53.987 53.050 0.189 0.000 0.882 278 N CB -0.143 38.439 38.487 0.158 0.000 0.984 278 N HN 0.517 nan 8.380 nan 0.000 0.434 279 M N 0.543 120.215 119.600 0.120 0.000 2.213 279 M HA -0.106 4.372 4.480 -0.004 0.000 0.263 279 M C 1.678 178.025 176.300 0.077 0.000 1.062 279 M CA 1.404 56.779 55.300 0.126 0.000 1.105 279 M CB 0.047 32.774 32.600 0.212 0.000 1.385 279 M HN 0.047 nan 8.290 nan 0.000 0.417 280 L N 0.763 121.961 121.223 -0.041 0.000 2.179 280 L HA 0.050 4.388 4.340 -0.004 0.000 0.208 280 L C 2.008 178.795 176.870 -0.138 0.000 1.096 280 L CA 1.429 56.154 54.840 -0.191 0.000 0.779 280 L CB -0.498 41.218 42.059 -0.571 0.000 0.922 280 L HN 0.405 nan 8.230 nan 0.000 0.443 281 L N -0.970 120.198 121.223 -0.092 0.000 2.240 281 L HA -0.150 4.188 4.340 -0.004 0.000 0.211 281 L C 2.443 179.312 176.870 -0.001 0.000 1.106 281 L CA 0.838 55.652 54.840 -0.044 0.000 0.793 281 L CB -0.440 41.635 42.059 0.027 0.000 0.927 281 L HN 0.318 nan 8.230 nan 0.000 0.446 282 K N 1.177 121.587 120.400 0.017 0.000 1.975 282 K HA -0.213 4.105 4.320 -0.004 0.000 0.210 282 K C 2.068 178.679 176.600 0.018 0.000 1.041 282 K CA 1.271 57.573 56.287 0.025 0.000 0.942 282 K CB -0.063 32.459 32.500 0.037 0.000 0.729 282 K HN -0.065 nan 8.250 nan 0.000 0.439 283 K N -0.017 120.398 120.400 0.024 0.000 2.206 283 K HA -0.203 4.115 4.320 -0.004 0.000 0.211 283 K C 1.824 178.431 176.600 0.011 0.000 1.047 283 K CA 1.822 58.125 56.287 0.025 0.000 0.933 283 K CB -0.101 32.427 32.500 0.047 0.000 0.721 283 K HN 0.131 nan 8.250 nan 0.000 0.471 284 L N -0.939 120.282 121.223 -0.004 0.000 2.509 284 L HA 0.064 4.402 4.340 -0.004 0.000 0.222 284 L C 1.861 178.736 176.870 0.008 0.000 1.123 284 L CA 1.121 55.956 54.840 -0.008 0.000 0.856 284 L CB -0.297 41.740 42.059 -0.036 0.000 0.985 284 L HN 0.160 nan 8.230 nan 0.000 0.456 285 A N -0.238 122.590 122.820 0.015 0.000 1.887 285 A HA 0.106 4.424 4.320 -0.004 0.000 0.212 285 A C -0.155 177.439 177.584 0.017 0.000 1.198 285 A CA 0.591 52.645 52.037 0.028 0.000 0.628 285 A CB -1.430 17.590 19.000 0.033 0.000 0.847 285 A HN 0.248 nan 8.150 nan 0.000 0.449 286 P HA -0.183 nan 4.420 nan 0.000 0.214 286 P C -1.319 175.981 177.300 -0.000 0.000 1.172 286 P CA 2.634 65.732 63.100 -0.003 0.000 0.925 286 P CB -0.943 30.756 31.700 -0.001 0.000 0.793 287 P HA -0.137 nan 4.420 nan 0.000 0.215 287 P C 1.931 179.240 177.300 0.015 0.000 1.157 287 P CA 1.411 64.516 63.100 0.008 0.000 0.863 287 P CB -0.429 31.277 31.700 0.011 0.000 0.787 288 L N -0.581 120.657 121.223 0.025 0.000 2.197 288 L HA -0.165 4.173 4.340 -0.004 0.000 0.215 288 L C 2.449 179.355 176.870 0.059 0.000 1.095 288 L CA 1.440 56.307 54.840 0.045 0.000 0.764 288 L CB -0.382 41.710 42.059 0.056 0.000 0.897 288 L HN -0.127 nan 8.230 nan 0.000 0.436 289 V N -0.759 119.171 119.914 0.026 0.000 2.302 289 V HA -0.245 3.872 4.120 -0.004 0.000 0.243 289 V C 2.656 178.739 176.094 -0.018 0.000 1.036 289 V CA 1.903 64.192 62.300 -0.018 0.000 1.020 289 V CB -0.787 30.988 31.823 -0.080 0.000 0.657 289 V HN 0.683 nan 8.190 nan 0.000 0.453 290 T N -0.666 113.881 114.554 -0.013 0.000 2.751 290 T HA -0.301 4.046 4.350 -0.004 0.000 0.268 290 T C 1.839 176.541 174.700 0.004 0.000 1.045 290 T CA 1.878 63.972 62.100 -0.010 0.000 1.142 290 T CB -0.716 68.148 68.868 -0.005 0.000 0.851 290 T HN 0.361 nan 8.240 nan 0.000 0.474 291 L N -0.016 121.218 121.223 0.019 0.000 2.261 291 L HA 0.003 4.341 4.340 -0.004 0.000 0.216 291 L C 0.564 177.462 176.870 0.046 0.000 1.114 291 L CA 0.590 55.450 54.840 0.033 0.000 0.777 291 L CB -0.439 41.646 42.059 0.043 0.000 0.910 291 L HN 0.375 nan 8.230 nan 0.000 0.440 292 L N -1.391 119.857 121.223 0.042 0.000 2.796 292 L HA 0.213 4.551 4.340 -0.004 0.000 0.235 292 L C 0.732 177.616 176.870 0.024 0.000 1.344 292 L CA 0.542 55.412 54.840 0.051 0.000 1.245 292 L CB -0.520 41.574 42.059 0.058 0.000 1.556 292 L HN -0.052 nan 8.230 nan 0.000 0.423 293 S N -1.379 114.337 115.700 0.026 0.000 2.585 293 S HA 0.211 4.679 4.470 -0.004 0.000 0.201 293 S C 0.862 175.473 174.600 0.019 0.000 0.826 293 S CA 0.040 58.249 58.200 0.014 0.000 1.552 293 S CB 0.291 63.491 63.200 -0.000 0.000 1.270 293 S HN 0.628 nan 8.310 nan 0.000 0.586 294 G N 0.820 109.638 108.800 0.030 0.000 2.553 294 G HA2 0.473 4.430 3.960 -0.004 0.000 0.278 294 G HA3 0.473 4.430 3.960 -0.004 0.000 0.278 294 G C -0.205 174.719 174.900 0.041 0.000 1.349 294 G CA -0.193 44.927 45.100 0.033 0.000 1.037 294 G HN 0.255 nan 8.290 nan 0.000 0.508 295 E N 0.730 120.957 120.200 0.045 0.000 2.408 295 E HA 0.037 4.385 4.350 -0.004 0.000 0.259 295 E C -1.004 175.644 176.600 0.081 0.000 1.110 295 E CA -1.261 55.171 56.400 0.053 0.000 0.929 295 E CB 1.190 30.921 29.700 0.051 0.000 0.971 295 E HN 0.092 nan 8.360 nan 0.000 0.438 296 P HA -0.260 nan 4.420 nan 0.000 0.214 296 P C 0.843 178.305 177.300 0.271 0.000 1.164 296 P CA 1.585 64.775 63.100 0.151 0.000 0.942 296 P CB 0.192 31.973 31.700 0.134 0.000 0.791 297 E N -0.465 119.874 120.200 0.230 0.000 2.241 297 E HA -0.254 4.094 4.350 -0.004 0.000 0.244 297 E C 1.952 178.661 176.600 0.182 0.000 1.070 297 E CA 2.581 59.077 56.400 0.159 0.000 0.998 297 E CB -1.581 28.165 29.700 0.078 0.000 0.879 297 E HN 0.294 nan 8.360 nan 0.000 0.501 298 V N -0.784 119.205 119.914 0.125 0.000 3.078 298 V HA -0.220 3.898 4.120 -0.004 0.000 0.265 298 V C 1.695 177.856 176.094 0.110 0.000 1.122 298 V CA 1.594 63.953 62.300 0.099 0.000 1.141 298 V CB -0.441 31.421 31.823 0.066 0.000 0.735 298 V HN 0.246 nan 8.190 nan 0.000 0.498 299 Q N 0.021 119.909 119.800 0.147 0.000 1.942 299 Q HA -0.212 4.125 4.340 -0.004 0.000 0.203 299 Q C 2.200 178.323 176.000 0.204 0.000 0.987 299 Q CA 2.193 58.091 55.803 0.159 0.000 0.844 299 Q CB -0.707 28.125 28.738 0.157 0.000 0.911 299 Q HN 0.748 nan 8.270 nan 0.000 0.423 300 Y N 1.740 122.143 120.300 0.171 0.000 2.132 300 Y HA -0.317 4.231 4.550 -0.004 0.000 0.280 300 Y C 2.132 178.070 175.900 0.064 0.000 1.193 300 Y CA 1.631 59.831 58.100 0.166 0.000 1.157 300 Y CB -0.359 38.233 38.460 0.221 0.000 0.966 300 Y HN -0.111 nan 8.280 nan 0.000 0.511 301 V N 0.378 120.319 119.914 0.045 0.000 2.295 301 V HA -0.341 3.776 4.120 -0.004 0.000 0.246 301 V C 2.734 178.783 176.094 -0.075 0.000 1.049 301 V CA 1.887 64.136 62.300 -0.085 0.000 1.024 301 V CB -1.642 30.179 31.823 -0.004 0.000 0.648 301 V HN 0.605 nan 8.190 nan 0.000 0.447 302 A N -0.168 122.653 122.820 0.001 0.000 1.917 302 A HA -0.209 4.109 4.320 -0.004 0.000 0.219 302 A C 2.208 179.800 177.584 0.013 0.000 1.182 302 A CA 2.089 54.137 52.037 0.018 0.000 0.633 302 A CB -0.586 18.445 19.000 0.053 0.000 0.819 302 A HN 0.529 nan 8.150 nan 0.000 0.448 303 L N -1.501 119.729 121.223 0.012 0.000 2.056 303 L HA -0.156 4.181 4.340 -0.004 0.000 0.207 303 L C 2.888 179.729 176.870 -0.047 0.000 1.078 303 L CA 0.939 55.785 54.840 0.011 0.000 0.749 303 L CB -0.598 41.490 42.059 0.048 0.000 0.901 303 L HN 0.255 nan 8.230 nan 0.000 0.433 304 R N 0.508 120.928 120.500 -0.133 0.000 2.080 304 R HA -0.146 4.192 4.340 -0.004 0.000 0.236 304 R C 1.995 178.306 176.300 0.019 0.000 1.137 304 R CA 1.263 57.334 56.100 -0.049 0.000 0.943 304 R CB -1.363 28.837 30.300 -0.165 0.000 0.846 304 R HN 0.453 nan 8.270 nan 0.000 0.431 305 N N 0.830 119.501 118.700 -0.048 0.000 2.060 305 N HA -0.185 4.553 4.740 -0.004 0.000 0.195 305 N C 2.026 177.509 175.510 -0.045 0.000 1.028 305 N CA 1.534 54.551 53.050 -0.054 0.000 0.861 305 N CB -0.278 38.184 38.487 -0.041 0.000 1.029 305 N HN 0.225 nan 8.380 nan 0.000 0.428 306 I N 1.355 121.911 120.570 -0.025 0.000 2.058 306 I HA -0.338 3.830 4.170 -0.004 0.000 0.235 306 I C 2.309 178.389 176.117 -0.062 0.000 1.053 306 I CA 1.317 62.598 61.300 -0.032 0.000 1.313 306 I CB -0.601 37.383 38.000 -0.026 0.000 1.039 306 I HN 0.259 nan 8.210 nan 0.000 0.396 307 N N 0.947 119.610 118.700 -0.061 0.000 2.073 307 N HA -0.277 4.461 4.740 -0.004 0.000 0.199 307 N C 1.944 177.446 175.510 -0.013 0.000 1.023 307 N CA 1.846 54.873 53.050 -0.038 0.000 0.880 307 N CB -0.201 38.305 38.487 0.033 0.000 1.052 307 N HN 0.179 nan 8.380 nan 0.000 0.449 308 L N 0.351 121.558 121.223 -0.027 0.000 1.990 308 L HA -0.228 4.110 4.340 -0.004 0.000 0.213 308 L C 2.348 179.177 176.870 -0.068 0.000 1.072 308 L CA 1.372 56.154 54.840 -0.096 0.000 0.755 308 L CB -0.595 41.330 42.059 -0.223 0.000 0.889 308 L HN 0.310 nan 8.230 nan 0.000 0.432 309 I N -1.130 119.402 120.570 -0.063 0.000 2.076 309 I HA -0.300 3.868 4.170 -0.004 0.000 0.237 309 I C 2.492 178.587 176.117 -0.038 0.000 1.059 309 I CA 1.349 62.620 61.300 -0.048 0.000 1.317 309 I CB -0.718 37.260 38.000 -0.038 0.000 1.037 309 I HN -0.046 nan 8.210 nan 0.000 0.398 310 V N 0.407 120.294 119.914 -0.044 0.000 2.242 310 V HA -0.456 3.662 4.120 -0.004 0.000 0.257 310 V C 2.584 178.661 176.094 -0.028 0.000 1.073 310 V CA 2.494 64.769 62.300 -0.043 0.000 1.058 310 V CB -0.920 30.851 31.823 -0.087 0.000 0.664 310 V HN 0.515 nan 8.190 nan 0.000 0.451 311 Q N -0.960 118.823 119.800 -0.029 0.000 2.112 311 Q HA -0.307 4.031 4.340 -0.004 0.000 0.206 311 Q C 2.292 178.284 176.000 -0.014 0.000 0.987 311 Q CA 2.326 58.119 55.803 -0.017 0.000 0.858 311 Q CB -0.178 28.554 28.738 -0.010 0.000 0.905 311 Q HN 0.651 nan 8.270 nan 0.000 0.420 312 K N 0.401 120.789 120.400 -0.021 0.000 2.044 312 K HA 0.010 4.328 4.320 -0.004 0.000 0.204 312 K C 0.198 176.795 176.600 -0.005 0.000 1.045 312 K CA 0.989 57.266 56.287 -0.017 0.000 0.951 312 K CB 0.416 32.897 32.500 -0.031 0.000 0.738 312 K HN -0.162 nan 8.250 nan 0.000 0.443 313 R N 0.638 121.133 120.500 -0.007 0.000 2.358 313 R HA 0.252 4.590 4.340 -0.004 0.000 0.309 313 R C -2.218 174.089 176.300 0.011 0.000 1.026 313 R CA -1.742 54.363 56.100 0.009 0.000 0.909 313 R CB 1.674 31.975 30.300 0.003 0.000 1.153 313 R HN 0.192 nan 8.270 nan 0.000 0.515 314 P HA 0.025 nan 4.420 nan 0.000 0.251 314 P C -0.572 176.749 177.300 0.034 0.000 1.223 314 P CA 0.405 63.517 63.100 0.020 0.000 0.796 314 P CB 0.456 32.167 31.700 0.018 0.000 1.068 315 E N -0.254 119.971 120.200 0.042 0.000 2.354 315 E HA 0.289 4.636 4.350 -0.004 0.000 0.260 315 E C 0.810 177.440 176.600 0.052 0.000 1.405 315 E CA 0.057 56.488 56.400 0.052 0.000 1.728 315 E CB -0.426 29.312 29.700 0.065 0.000 1.471 315 E HN 0.269 nan 8.360 nan 0.000 0.441 316 I N -0.831 119.768 120.570 0.047 0.000 3.620 316 I HA 0.011 4.179 4.170 -0.004 0.000 0.255 316 I C 0.018 176.174 176.117 0.064 0.000 1.124 316 I CA -0.241 61.085 61.300 0.044 0.000 1.526 316 I CB 0.483 38.499 38.000 0.027 0.000 1.681 316 I HN 0.118 nan 8.210 nan 0.000 0.420 317 L N 2.896 124.173 121.223 0.090 0.000 2.934 317 L HA 0.161 4.499 4.340 -0.004 0.000 0.233 317 L C 1.396 178.345 176.870 0.131 0.000 1.358 317 L CA 0.516 55.447 54.840 0.151 0.000 1.233 317 L CB -0.994 41.233 42.059 0.280 0.000 1.594 317 L HN 0.209 nan 8.230 nan 0.000 0.439 318 K N 1.991 122.443 120.400 0.087 0.000 2.001 318 K HA -0.162 4.156 4.320 -0.004 0.000 0.208 318 K C 1.260 177.909 176.600 0.083 0.000 1.048 318 K CA 1.781 58.112 56.287 0.075 0.000 0.932 318 K CB 0.329 32.863 32.500 0.057 0.000 0.715 318 K HN 0.382 nan 8.250 nan 0.000 0.437 319 Q N 0.254 120.095 119.800 0.069 0.000 2.159 319 Q HA 0.196 4.533 4.340 -0.004 0.000 0.217 319 Q C -0.098 175.923 176.000 0.034 0.000 0.818 319 Q CA -0.047 55.790 55.803 0.057 0.000 1.008 319 Q CB 0.985 29.746 28.738 0.038 0.000 1.148 319 Q HN 0.218 nan 8.270 nan 0.000 0.491 320 E N 0.626 120.856 120.200 0.050 0.000 2.438 320 E HA -0.058 4.290 4.350 -0.004 0.000 0.192 320 E C 1.195 177.788 176.600 -0.011 0.000 1.110 320 E CA 0.036 56.422 56.400 -0.022 0.000 0.893 320 E CB -0.107 29.580 29.700 -0.021 0.000 0.990 320 E HN 0.425 nan 8.360 nan 0.000 0.490 321 I N 1.140 121.775 120.570 0.108 0.000 2.248 321 I HA -0.354 3.814 4.170 -0.004 0.000 0.248 321 I C 2.065 178.157 176.117 -0.043 0.000 1.107 321 I CA 1.645 63.080 61.300 0.224 0.000 1.373 321 I CB 0.013 38.156 38.000 0.238 0.000 1.055 321 I HN -0.142 nan 8.210 nan 0.000 0.418 322 K N 0.300 120.456 120.400 -0.406 0.000 2.034 322 K HA -0.185 4.133 4.320 -0.004 0.000 0.214 322 K C 1.964 177.940 176.600 -1.040 0.000 1.051 322 K CA 2.442 58.047 56.287 -1.137 0.000 0.931 322 K CB -0.634 31.508 32.500 -0.598 0.000 0.715 322 K HN 0.376 nan 8.250 nan 0.000 0.446 323 V N 0.356 119.899 119.914 -0.618 0.000 2.277 323 V HA -0.271 3.847 4.120 -0.004 0.000 0.253 323 V C 1.642 177.458 176.094 -0.463 0.000 1.067 323 V CA 1.965 63.911 62.300 -0.589 0.000 1.047 323 V CB -0.785 30.544 31.823 -0.824 0.000 0.649 323 V HN 0.237 nan 8.190 nan 0.000 0.447 324 F N -0.766 119.172 119.950 -0.020 0.000 2.740 324 F HA 0.303 4.828 4.527 -0.003 0.000 0.294 324 F C 0.754 176.768 175.800 0.358 0.000 1.225 324 F CA -0.227 57.856 58.000 0.139 0.000 1.426 324 F CB -1.003 38.079 39.000 0.137 0.000 1.021 324 F HN 0.017 nan 8.300 nan 0.000 0.508 325 F N -0.026 120.029 119.950 0.176 0.000 2.384 325 F HA 0.306 4.831 4.527 -0.004 0.000 0.338 325 F C 0.607 176.522 175.800 0.191 0.000 1.103 325 F CA -1.263 56.859 58.000 0.203 0.000 1.157 325 F CB 1.023 40.112 39.000 0.150 0.000 1.167 325 F HN -0.427 nan 8.300 nan 0.000 0.529 326 V N 4.273 124.438 119.914 0.418 0.000 2.455 326 V HA 0.057 4.175 4.120 -0.004 0.000 0.273 326 V C -0.016 176.207 176.094 0.215 0.000 1.045 326 V CA -0.336 62.102 62.300 0.230 0.000 0.976 326 V CB 1.082 32.936 31.823 0.052 0.000 0.993 326 V HN 0.592 nan 8.190 nan 0.000 0.475 327 K N 3.649 124.123 120.400 0.124 0.000 2.202 327 K HA 0.190 4.508 4.320 -0.004 0.000 0.264 327 K C 0.310 176.946 176.600 0.060 0.000 1.010 327 K CA -0.105 56.248 56.287 0.111 0.000 0.940 327 K CB 0.455 32.996 32.500 0.068 0.000 0.983 327 K HN 0.613 nan 8.250 nan 0.000 0.475 328 Y N 1.411 121.703 120.300 -0.014 0.000 2.529 328 Y HA -0.014 4.534 4.550 -0.003 0.000 0.290 328 Y C -0.185 175.664 175.900 -0.086 0.000 1.177 328 Y CA 0.840 58.908 58.100 -0.053 0.000 1.305 328 Y CB 0.013 38.467 38.460 -0.010 0.000 1.047 328 Y HN 0.658 nan 8.280 nan 0.000 0.522 329 N N -1.568 117.137 118.700 0.008 0.000 2.433 329 N HA 0.104 4.842 4.740 -0.004 0.000 0.270 329 N C -1.352 174.097 175.510 -0.101 0.000 1.354 329 N CA -0.343 52.680 53.050 -0.044 0.000 0.889 329 N CB 0.372 38.871 38.487 0.021 0.000 1.285 329 N HN -0.037 nan 8.380 nan 0.000 0.503 330 D N 2.136 122.441 120.400 -0.158 0.000 2.255 330 D HA 0.219 4.857 4.640 -0.004 0.000 0.249 330 D C -2.221 173.890 176.300 -0.314 0.000 1.078 330 D CA -1.307 52.575 54.000 -0.198 0.000 0.896 330 D CB 1.485 42.184 40.800 -0.168 0.000 1.194 330 D HN 0.151 nan 8.370 nan 0.000 0.429 331 P HA 0.121 nan 4.420 nan 0.000 0.279 331 P C 1.410 178.325 177.300 -0.641 0.000 1.239 331 P CA -0.501 62.289 63.100 -0.517 0.000 0.789 331 P CB 1.356 32.678 31.700 -0.630 0.000 0.933 332 I N 3.526 123.810 120.570 -0.476 0.000 2.091 332 I HA -0.389 3.779 4.170 -0.004 0.000 0.240 332 I C 2.075 178.049 176.117 -0.237 0.000 1.046 332 I CA 2.298 63.387 61.300 -0.352 0.000 1.306 332 I CB -0.623 37.244 38.000 -0.222 0.000 1.018 332 I HN 0.406 nan 8.210 nan 0.000 0.404 333 Y N 0.530 120.773 120.300 -0.095 0.000 2.132 333 Y HA -0.236 4.312 4.550 -0.003 0.000 0.280 333 Y C 2.348 178.333 175.900 0.141 0.000 1.193 333 Y CA 1.712 59.800 58.100 -0.019 0.000 1.157 333 Y CB -1.782 36.515 38.460 -0.272 0.000 0.966 333 Y HN 0.023 nan 8.280 nan 0.000 0.511 334 V N 1.216 121.087 119.914 -0.072 0.000 2.358 334 V HA -0.261 3.856 4.120 -0.004 0.000 0.246 334 V C 2.525 178.634 176.094 0.025 0.000 1.047 334 V CA 2.050 64.378 62.300 0.047 0.000 1.035 334 V CB -0.612 31.165 31.823 -0.076 0.000 0.658 334 V HN 0.434 nan 8.190 nan 0.000 0.452 335 K N -0.083 120.251 120.400 -0.111 0.000 2.000 335 K HA -0.236 4.081 4.320 -0.004 0.000 0.218 335 K C 2.069 178.788 176.600 0.200 0.000 1.053 335 K CA 1.966 58.189 56.287 -0.107 0.000 0.946 335 K CB -0.673 31.479 32.500 -0.580 0.000 0.723 335 K HN 0.346 nan 8.250 nan 0.000 0.446 336 L N 1.115 122.475 121.223 0.229 0.000 1.989 336 L HA -0.207 4.131 4.340 -0.004 0.000 0.211 336 L C 2.538 179.497 176.870 0.148 0.000 1.071 336 L CA 1.165 56.155 54.840 0.250 0.000 0.749 336 L CB -0.612 41.564 42.059 0.195 0.000 0.890 336 L HN 0.126 nan 8.230 nan 0.000 0.431 337 E N 0.773 121.061 120.200 0.147 0.000 2.068 337 E HA -0.262 4.086 4.350 -0.004 0.000 0.207 337 E C 2.100 178.746 176.600 0.077 0.000 1.032 337 E CA 1.530 57.985 56.400 0.092 0.000 0.839 337 E CB -0.249 29.515 29.700 0.107 0.000 0.758 337 E HN 0.351 nan 8.360 nan 0.000 0.457 338 K N -0.175 120.303 120.400 0.130 0.000 1.977 338 K HA -0.213 4.105 4.320 -0.004 0.000 0.218 338 K C 2.160 178.845 176.600 0.142 0.000 1.051 338 K CA 1.417 57.807 56.287 0.171 0.000 0.953 338 K CB -0.698 31.935 32.500 0.221 0.000 0.727 338 K HN 0.060 nan 8.250 nan 0.000 0.445 339 L N 2.489 123.798 121.223 0.144 0.000 2.026 339 L HA -0.349 3.989 4.340 -0.004 0.000 0.231 339 L C 1.781 178.676 176.870 0.041 0.000 1.095 339 L CA 2.072 56.959 54.840 0.080 0.000 0.810 339 L CB -0.915 41.112 42.059 -0.053 0.000 0.909 339 L HN 0.330 nan 8.230 nan 0.000 0.444 340 D N -0.619 119.787 120.400 0.010 0.000 2.133 340 D HA -0.248 4.390 4.640 -0.004 0.000 0.192 340 D C 2.262 178.541 176.300 -0.036 0.000 1.001 340 D CA 2.285 56.275 54.000 -0.016 0.000 0.844 340 D CB -0.118 40.666 40.800 -0.027 0.000 0.944 340 D HN 0.526 nan 8.370 nan 0.000 0.447 341 I N 0.499 121.024 120.570 -0.075 0.000 2.361 341 I HA -0.250 3.918 4.170 -0.004 0.000 0.251 341 I C 2.581 178.611 176.117 -0.145 0.000 1.133 341 I CA 0.460 61.627 61.300 -0.220 0.000 1.413 341 I CB -0.152 37.537 38.000 -0.519 0.000 1.073 341 I HN 0.020 nan 8.210 nan 0.000 0.424 342 M N 0.588 120.210 119.600 0.037 0.000 2.126 342 M HA -0.244 4.234 4.480 -0.004 0.000 0.259 342 M C 2.196 178.547 176.300 0.085 0.000 1.073 342 M CA 2.009 57.405 55.300 0.161 0.000 1.103 342 M CB -0.262 32.473 32.600 0.225 0.000 1.284 342 M HN 0.079 nan 8.290 nan 0.000 0.420 343 I N 0.142 120.742 120.570 0.051 0.000 2.623 343 I HA -0.289 3.879 4.170 -0.004 0.000 0.261 343 I C 2.121 178.246 176.117 0.014 0.000 1.204 343 I CA 1.297 62.614 61.300 0.028 0.000 1.444 343 I CB -1.571 36.433 38.000 0.007 0.000 1.094 343 I HN 0.386 nan 8.210 nan 0.000 0.451 344 R N 0.882 121.378 120.500 -0.006 0.000 2.120 344 R HA -0.040 4.297 4.340 -0.004 0.000 0.234 344 R C 2.159 178.464 176.300 0.008 0.000 1.123 344 R CA 1.081 57.172 56.100 -0.016 0.000 0.975 344 R CB -0.340 29.927 30.300 -0.055 0.000 0.866 344 R HN 0.434 nan 8.270 nan 0.000 0.446 345 L N -0.102 121.140 121.223 0.033 0.000 2.470 345 L HA 0.290 4.628 4.340 -0.004 0.000 0.219 345 L C 0.867 177.783 176.870 0.077 0.000 1.071 345 L CA -0.154 54.724 54.840 0.064 0.000 0.850 345 L CB -0.270 41.852 42.059 0.106 0.000 1.040 345 L HN -0.094 nan 8.230 nan 0.000 0.475 346 A N 1.443 124.312 122.820 0.081 0.000 2.581 346 A HA 0.183 4.501 4.320 -0.004 0.000 0.257 346 A C 0.631 178.249 177.584 0.057 0.000 1.022 346 A CA 1.124 53.204 52.037 0.073 0.000 0.812 346 A CB -0.358 18.674 19.000 0.054 0.000 0.918 346 A HN 0.483 nan 8.150 nan 0.000 0.516 347 S N 1.631 117.367 115.700 0.059 0.000 2.776 347 S HA 0.467 4.935 4.470 -0.004 0.000 0.292 347 S C 0.950 175.578 174.600 0.046 0.000 1.187 347 S CA -0.036 58.194 58.200 0.050 0.000 0.834 347 S CB 0.545 63.776 63.200 0.051 0.000 1.199 347 S HN 0.762 nan 8.310 nan 0.000 0.514 348 Q N 0.362 120.186 119.800 0.041 0.000 2.250 348 Q HA -0.253 4.085 4.340 -0.004 0.000 0.215 348 Q C 1.943 177.965 176.000 0.036 0.000 1.002 348 Q CA 2.476 58.300 55.803 0.036 0.000 0.910 348 Q CB -1.517 27.240 28.738 0.032 0.000 0.939 348 Q HN 0.893 nan 8.270 nan 0.000 0.416 349 A N 1.473 124.319 122.820 0.044 0.000 1.881 349 A HA -0.051 4.267 4.320 -0.004 0.000 0.210 349 A C 1.778 179.396 177.584 0.055 0.000 1.239 349 A CA 0.778 52.843 52.037 0.046 0.000 0.629 349 A CB -0.403 18.626 19.000 0.049 0.000 0.906 349 A HN 0.485 nan 8.150 nan 0.000 0.460 350 N N 1.055 119.798 118.700 0.072 0.000 2.443 350 N HA -0.099 4.639 4.740 -0.004 0.000 0.184 350 N C 1.169 176.720 175.510 0.069 0.000 1.037 350 N CA 1.412 54.520 53.050 0.098 0.000 0.896 350 N CB -0.684 37.886 38.487 0.137 0.000 0.959 350 N HN 0.565 nan 8.380 nan 0.000 0.442 351 I N 0.753 121.350 120.570 0.044 0.000 2.194 351 I HA -0.271 3.897 4.170 -0.004 0.000 0.246 351 I C 2.370 178.486 176.117 -0.001 0.000 1.093 351 I CA 1.278 62.590 61.300 0.020 0.000 1.355 351 I CB -0.942 37.069 38.000 0.017 0.000 1.046 351 I HN 0.146 nan 8.210 nan 0.000 0.413 352 A N 1.555 124.378 122.820 0.005 0.000 1.842 352 A HA -0.317 4.001 4.320 -0.004 0.000 0.217 352 A C 2.418 179.983 177.584 -0.031 0.000 1.206 352 A CA 2.556 54.588 52.037 -0.009 0.000 0.630 352 A CB -1.166 17.837 19.000 0.004 0.000 0.839 352 A HN 0.692 nan 8.150 nan 0.000 0.447 353 Q N -0.628 119.160 119.800 -0.020 0.000 2.224 353 Q HA -0.068 4.269 4.340 -0.004 0.000 0.203 353 Q C 1.879 177.783 176.000 -0.160 0.000 0.970 353 Q CA 1.668 57.432 55.803 -0.066 0.000 0.865 353 Q CB -0.668 28.067 28.738 -0.004 0.000 0.922 353 Q HN 0.366 nan 8.270 nan 0.000 0.445 354 V N 1.564 121.411 119.914 -0.111 0.000 2.261 354 V HA -0.271 3.846 4.120 -0.004 0.000 0.246 354 V C 2.338 178.335 176.094 -0.162 0.000 1.047 354 V CA 1.665 63.879 62.300 -0.144 0.000 1.015 354 V CB -0.548 31.255 31.823 -0.035 0.000 0.642 354 V HN 0.239 nan 8.190 nan 0.000 0.446 355 L N -0.057 121.101 121.223 -0.108 0.000 2.079 355 L HA -0.163 4.175 4.340 -0.004 0.000 0.210 355 L C 2.555 179.337 176.870 -0.146 0.000 1.081 355 L CA 1.771 56.546 54.840 -0.108 0.000 0.752 355 L CB -0.835 41.183 42.059 -0.068 0.000 0.896 355 L HN 0.326 nan 8.230 nan 0.000 0.433 356 A N -0.269 122.462 122.820 -0.149 0.000 1.837 356 A HA -0.341 3.977 4.320 -0.004 0.000 0.216 356 A C 2.163 179.578 177.584 -0.283 0.000 1.210 356 A CA 2.111 54.046 52.037 -0.171 0.000 0.632 356 A CB -0.941 17.974 19.000 -0.141 0.000 0.843 356 A HN 0.384 nan 8.150 nan 0.000 0.448 357 E N -0.415 119.550 120.200 -0.390 0.000 2.113 357 E HA -0.255 4.093 4.350 -0.004 0.000 0.210 357 E C 1.904 177.899 176.600 -1.010 0.000 1.040 357 E CA 2.078 58.073 56.400 -0.675 0.000 0.847 357 E CB -0.457 28.845 29.700 -0.663 0.000 0.755 357 E HN 0.590 nan 8.360 nan 0.000 0.459 358 L N 0.586 121.438 121.223 -0.618 0.000 2.012 358 L HA -0.249 4.089 4.340 -0.004 0.000 0.210 358 L C 2.638 179.357 176.870 -0.252 0.000 1.073 358 L CA 1.957 56.567 54.840 -0.383 0.000 0.748 358 L CB -0.893 41.082 42.059 -0.141 0.000 0.891 358 L HN 0.227 nan 8.230 nan 0.000 0.431 359 K N 0.620 120.898 120.400 -0.203 0.000 2.160 359 K HA -0.279 4.039 4.320 -0.004 0.000 0.206 359 K C 1.827 178.367 176.600 -0.100 0.000 1.047 359 K CA 2.070 58.286 56.287 -0.117 0.000 0.930 359 K CB -0.264 32.176 32.500 -0.101 0.000 0.720 359 K HN 0.412 nan 8.250 nan 0.000 0.450 360 E N -0.488 119.597 120.200 -0.191 0.000 2.072 360 E HA -0.135 4.213 4.350 -0.004 0.000 0.190 360 E C 1.733 178.381 176.600 0.080 0.000 0.982 360 E CA 0.759 57.103 56.400 -0.094 0.000 0.803 360 E CB -0.032 29.578 29.700 -0.150 0.000 0.755 360 E HN 0.374 nan 8.360 nan 0.000 0.453 361 Y N 0.443 120.792 120.300 0.082 0.000 2.089 361 Y HA -0.144 4.404 4.550 -0.003 0.000 0.282 361 Y C 2.425 178.393 175.900 0.114 0.000 1.139 361 Y CA 0.725 58.911 58.100 0.144 0.000 1.123 361 Y CB -1.398 37.089 38.460 0.046 0.000 0.980 361 Y HN 0.079 nan 8.280 nan 0.000 0.493 362 A N 0.139 123.075 122.820 0.194 0.000 2.038 362 A HA -0.354 3.964 4.320 -0.004 0.000 0.224 362 A C 2.357 180.022 177.584 0.135 0.000 1.190 362 A CA 3.157 55.266 52.037 0.120 0.000 0.668 362 A CB -1.517 17.513 19.000 0.050 0.000 0.820 362 A HN 0.611 nan 8.150 nan 0.000 0.474 363 T N -2.620 112.020 114.554 0.144 0.000 3.023 363 T HA 0.017 4.365 4.350 -0.004 0.000 0.266 363 T C 0.887 175.685 174.700 0.164 0.000 1.093 363 T CA 0.695 62.870 62.100 0.125 0.000 1.129 363 T CB -0.299 68.630 68.868 0.101 0.000 0.899 363 T HN 0.523 nan 8.240 nan 0.000 0.491 364 E N 0.640 120.979 120.200 0.231 0.000 2.494 364 E HA 0.057 4.404 4.350 -0.004 0.000 0.262 364 E C 1.571 178.287 176.600 0.194 0.000 1.294 364 E CA 0.766 57.315 56.400 0.248 0.000 1.062 364 E CB 0.922 30.803 29.700 0.302 0.000 0.982 364 E HN 0.357 nan 8.360 nan 0.000 0.495 365 V N -2.440 117.567 119.914 0.156 0.000 3.455 365 V HA 0.084 4.202 4.120 -0.004 0.000 0.250 365 V C 0.854 177.002 176.094 0.090 0.000 1.230 365 V CA 0.136 62.510 62.300 0.125 0.000 1.105 365 V CB 0.142 32.024 31.823 0.098 0.000 0.850 365 V HN 0.504 nan 8.190 nan 0.000 0.461 366 D N 1.489 121.924 120.400 0.058 0.000 2.382 366 D HA 0.065 4.703 4.640 -0.004 0.000 0.259 366 D C 1.223 177.558 176.300 0.058 0.000 1.224 366 D CA 0.442 54.456 54.000 0.023 0.000 0.894 366 D CB 2.044 42.823 40.800 -0.035 0.000 1.127 366 D HN 0.144 nan 8.370 nan 0.000 0.487 367 V N 4.361 124.249 119.914 -0.043 0.000 2.307 367 V HA -0.242 3.876 4.120 -0.004 0.000 0.245 367 V C 1.972 177.996 176.094 -0.116 0.000 1.045 367 V CA 1.499 63.683 62.300 -0.194 0.000 1.024 367 V CB -0.522 31.031 31.823 -0.451 0.000 0.651 367 V HN 0.536 nan 8.190 nan 0.000 0.449 368 D N -0.382 119.979 120.400 -0.064 0.000 2.133 368 D HA -0.197 4.441 4.640 -0.004 0.000 0.192 368 D C 1.816 178.163 176.300 0.080 0.000 1.001 368 D CA 1.451 55.452 54.000 0.001 0.000 0.844 368 D CB -0.314 40.498 40.800 0.019 0.000 0.944 368 D HN 0.379 nan 8.370 nan 0.000 0.447 369 F N 0.920 120.837 119.950 -0.055 0.000 2.014 369 F HA -0.223 4.302 4.527 -0.004 0.000 0.295 369 F C 2.362 178.168 175.800 0.010 0.000 1.145 369 F CA 0.830 58.798 58.000 -0.052 0.000 1.178 369 F CB -0.838 38.102 39.000 -0.099 0.000 0.972 369 F HN -0.206 nan 8.300 nan 0.000 0.476 370 V N 0.813 120.815 119.914 0.148 0.000 2.277 370 V HA -0.520 3.598 4.120 -0.004 0.000 0.255 370 V C 2.480 178.605 176.094 0.052 0.000 1.059 370 V CA 2.819 65.198 62.300 0.133 0.000 1.096 370 V CB -1.051 30.946 31.823 0.291 0.000 0.741 370 V HN 0.347 nan 8.190 nan 0.000 0.476 371 R N -0.452 120.110 120.500 0.104 0.000 2.103 371 R HA -0.199 4.139 4.340 -0.004 0.000 0.234 371 R C 2.471 178.752 176.300 -0.033 0.000 1.132 371 R CA 1.975 58.117 56.100 0.069 0.000 0.925 371 R CB -0.531 29.817 30.300 0.080 0.000 0.842 371 R HN 0.429 nan 8.270 nan 0.000 0.430 372 K N 0.101 120.447 120.400 -0.090 0.000 2.077 372 K HA -0.245 4.073 4.320 -0.004 0.000 0.213 372 K C 2.039 178.533 176.600 -0.178 0.000 1.051 372 K CA 1.964 58.164 56.287 -0.144 0.000 0.929 372 K CB -0.312 32.069 32.500 -0.199 0.000 0.715 372 K HN 0.277 nan 8.250 nan 0.000 0.451 373 A N 0.730 123.396 122.820 -0.258 0.000 1.872 373 A HA -0.111 4.207 4.320 -0.004 0.000 0.214 373 A C 2.264 179.807 177.584 -0.068 0.000 1.187 373 A CA 1.670 53.609 52.037 -0.163 0.000 0.614 373 A CB -0.831 18.089 19.000 -0.133 0.000 0.826 373 A HN 0.241 nan 8.150 nan 0.000 0.442 374 V N 0.549 120.436 119.914 -0.045 0.000 2.252 374 V HA -0.358 3.760 4.120 -0.004 0.000 0.249 374 V C 2.377 178.448 176.094 -0.038 0.000 1.056 374 V CA 3.090 65.373 62.300 -0.029 0.000 1.022 374 V CB -0.994 30.823 31.823 -0.009 0.000 0.641 374 V HN 0.657 nan 8.190 nan 0.000 0.445 375 R N 1.023 121.501 120.500 -0.037 0.000 2.168 375 R HA -0.244 4.093 4.340 -0.004 0.000 0.242 375 R C 2.358 178.629 176.300 -0.048 0.000 1.123 375 R CA 3.065 59.140 56.100 -0.042 0.000 0.928 375 R CB -1.417 28.856 30.300 -0.044 0.000 0.873 375 R HN 0.674 nan 8.270 nan 0.000 0.434 376 A N 0.298 123.087 122.820 -0.052 0.000 1.903 376 A HA -0.220 4.098 4.320 -0.004 0.000 0.219 376 A C 2.331 179.893 177.584 -0.037 0.000 1.191 376 A CA 2.112 54.124 52.037 -0.042 0.000 0.638 376 A CB -0.820 18.157 19.000 -0.038 0.000 0.823 376 A HN 0.476 nan 8.150 nan 0.000 0.451 377 I N -0.418 120.127 120.570 -0.042 0.000 2.069 377 I HA -0.301 3.867 4.170 -0.004 0.000 0.237 377 I C 2.798 178.884 176.117 -0.051 0.000 1.053 377 I CA 1.556 62.828 61.300 -0.046 0.000 1.311 377 I CB -0.915 37.054 38.000 -0.051 0.000 1.030 377 I HN 0.407 nan 8.210 nan 0.000 0.398 378 G N 1.019 109.782 108.800 -0.061 0.000 2.574 378 G HA2 -0.309 3.649 3.960 -0.004 0.000 0.220 378 G HA3 -0.309 3.649 3.960 -0.004 0.000 0.220 378 G C 1.675 176.536 174.900 -0.064 0.000 1.173 378 G CA 1.174 46.227 45.100 -0.077 0.000 0.772 378 G HN 0.385 nan 8.290 nan 0.000 0.585 379 R N -0.319 120.151 120.500 -0.051 0.000 2.152 379 R HA -0.046 4.292 4.340 -0.004 0.000 0.232 379 R C 2.601 178.887 176.300 -0.024 0.000 1.117 379 R CA 1.182 57.256 56.100 -0.043 0.000 0.981 379 R CB -0.993 29.285 30.300 -0.037 0.000 0.870 379 R HN 0.432 nan 8.270 nan 0.000 0.451 380 C N 1.079 120.368 119.300 -0.018 0.000 2.432 380 C HA -0.038 4.420 4.460 -0.004 0.000 0.277 380 C C 3.116 178.117 174.990 0.018 0.000 1.249 380 C CA 0.751 59.768 59.018 -0.001 0.000 1.725 380 C CB -1.071 26.663 27.740 -0.009 0.000 2.028 380 C HN 0.607 nan 8.230 nan 0.000 0.477 381 A N 0.917 123.741 122.820 0.005 0.000 1.896 381 A HA -0.242 4.076 4.320 -0.004 0.000 0.220 381 A C 1.806 179.481 177.584 0.151 0.000 1.206 381 A CA 2.327 54.396 52.037 0.053 0.000 0.647 381 A CB -0.717 18.274 19.000 -0.015 0.000 0.828 381 A HN 0.501 nan 8.150 nan 0.000 0.455 382 I N -0.451 120.143 120.570 0.039 0.000 2.567 382 I HA -0.156 4.012 4.170 -0.004 0.000 0.257 382 I C 2.254 178.387 176.117 0.026 0.000 1.184 382 I CA 1.609 62.891 61.300 -0.030 0.000 1.451 382 I CB -0.302 37.637 38.000 -0.102 0.000 1.089 382 I HN 0.357 nan 8.210 nan 0.000 0.441 383 K N 0.015 120.444 120.400 0.048 0.000 2.098 383 K HA 0.122 4.440 4.320 -0.004 0.000 0.203 383 K C -0.108 176.539 176.600 0.078 0.000 1.051 383 K CA 0.814 57.129 56.287 0.046 0.000 0.957 383 K CB 0.511 33.029 32.500 0.029 0.000 0.738 383 K HN 0.130 nan 8.250 nan 0.000 0.447 384 V N 0.029 120.000 119.914 0.096 0.000 2.932 384 V HA 0.143 4.261 4.120 -0.004 0.000 0.307 384 V C 0.426 176.578 176.094 0.097 0.000 1.147 384 V CA -0.935 61.427 62.300 0.104 0.000 0.951 384 V CB 1.738 33.598 31.823 0.063 0.000 1.031 384 V HN 0.186 nan 8.190 nan 0.000 0.426 385 E N 2.500 122.741 120.200 0.068 0.000 2.006 385 E HA -0.227 4.121 4.350 -0.004 0.000 0.192 385 E C 1.682 178.246 176.600 -0.060 0.000 0.993 385 E CA 2.367 58.733 56.400 -0.056 0.000 0.808 385 E CB -0.118 29.461 29.700 -0.202 0.000 0.764 385 E HN 0.838 nan 8.360 nan 0.000 0.449 386 Q N 0.887 120.663 119.800 -0.039 0.000 2.066 386 Q HA -0.327 4.011 4.340 -0.004 0.000 0.216 386 Q C 2.290 178.283 176.000 -0.012 0.000 1.035 386 Q CA 2.617 58.407 55.803 -0.023 0.000 0.897 386 Q CB -1.165 27.567 28.738 -0.010 0.000 1.010 386 Q HN 0.271 nan 8.270 nan 0.000 0.416 387 S N 1.076 116.774 115.700 -0.003 0.000 2.425 387 S HA -0.373 4.095 4.470 -0.004 0.000 0.256 387 S C 2.029 176.624 174.600 -0.008 0.000 1.101 387 S CA 1.840 60.040 58.200 -0.000 0.000 1.188 387 S CB -1.208 62.000 63.200 0.015 0.000 1.085 387 S HN 0.645 nan 8.310 nan 0.000 0.439 388 A N 1.529 124.346 122.820 -0.004 0.000 1.873 388 A HA -0.228 4.090 4.320 -0.004 0.000 0.218 388 A C 2.151 179.714 177.584 -0.034 0.000 1.193 388 A CA 2.201 54.226 52.037 -0.021 0.000 0.629 388 A CB -0.880 18.113 19.000 -0.012 0.000 0.826 388 A HN 0.472 nan 8.150 nan 0.000 0.447 389 E N 0.230 120.447 120.200 0.029 0.000 2.038 389 E HA -0.199 4.149 4.350 -0.004 0.000 0.195 389 E C 2.202 178.816 176.600 0.023 0.000 1.000 389 E CA 1.801 58.252 56.400 0.086 0.000 0.803 389 E CB -0.332 29.410 29.700 0.071 0.000 0.750 389 E HN 0.604 nan 8.360 nan 0.000 0.448 390 R N -0.371 120.129 120.500 -0.000 0.000 2.091 390 R HA -0.129 4.209 4.340 -0.004 0.000 0.238 390 R C 2.686 178.968 176.300 -0.030 0.000 1.136 390 R CA 1.388 57.481 56.100 -0.012 0.000 0.959 390 R CB -0.953 29.338 30.300 -0.015 0.000 0.856 390 R HN 0.318 nan 8.270 nan 0.000 0.437 391 C N 0.297 119.571 119.300 -0.044 0.000 2.386 391 C HA -0.125 4.333 4.460 -0.004 0.000 0.279 391 C C 2.820 177.755 174.990 -0.090 0.000 1.208 391 C CA 0.794 59.773 59.018 -0.065 0.000 1.747 391 C CB -0.943 26.755 27.740 -0.069 0.000 2.046 391 C HN 0.300 nan 8.230 nan 0.000 0.453 392 V N 0.533 120.363 119.914 -0.140 0.000 2.277 392 V HA -0.302 3.816 4.120 -0.004 0.000 0.253 392 V C 2.581 178.625 176.094 -0.083 0.000 1.067 392 V CA 2.581 64.773 62.300 -0.180 0.000 1.047 392 V CB -1.144 30.510 31.823 -0.282 0.000 0.649 392 V HN 0.631 nan 8.190 nan 0.000 0.447 393 S N -0.037 115.640 115.700 -0.039 0.000 2.351 393 S HA -0.242 4.226 4.470 -0.004 0.000 0.220 393 S C 2.279 176.863 174.600 -0.026 0.000 1.035 393 S CA 2.365 60.556 58.200 -0.015 0.000 1.031 393 S CB -0.588 62.611 63.200 -0.000 0.000 0.928 393 S HN 0.903 nan 8.310 nan 0.000 0.433 394 T N 1.437 115.971 114.554 -0.033 0.000 2.685 394 T HA -0.150 4.198 4.350 -0.004 0.000 0.268 394 T C 1.773 176.450 174.700 -0.038 0.000 1.034 394 T CA 1.573 63.652 62.100 -0.035 0.000 1.149 394 T CB -0.803 68.041 68.868 -0.041 0.000 0.860 394 T HN 0.340 nan 8.240 nan 0.000 0.449 395 L N -0.283 120.910 121.223 -0.050 0.000 2.093 395 L HA 0.034 4.372 4.340 -0.004 0.000 0.208 395 L C 2.748 179.596 176.870 -0.038 0.000 1.085 395 L CA 0.925 55.734 54.840 -0.052 0.000 0.755 395 L CB -0.552 41.462 42.059 -0.076 0.000 0.904 395 L HN 0.240 nan 8.230 nan 0.000 0.435 396 L N -0.251 120.953 121.223 -0.031 0.000 2.017 396 L HA -0.251 4.087 4.340 -0.004 0.000 0.208 396 L C 2.247 179.109 176.870 -0.013 0.000 1.073 396 L CA 1.584 56.416 54.840 -0.013 0.000 0.745 396 L CB -0.634 41.425 42.059 -0.000 0.000 0.894 396 L HN 0.220 nan 8.230 nan 0.000 0.432 397 D N -0.268 120.122 120.400 -0.016 0.000 2.126 397 D HA -0.251 4.387 4.640 -0.004 0.000 0.190 397 D C 2.359 178.646 176.300 -0.022 0.000 1.001 397 D CA 1.356 55.346 54.000 -0.016 0.000 0.841 397 D CB -0.428 40.361 40.800 -0.017 0.000 0.949 397 D HN 0.240 nan 8.370 nan 0.000 0.446 398 L N 0.082 121.288 121.223 -0.028 0.000 2.013 398 L HA -0.227 4.111 4.340 -0.004 0.000 0.212 398 L C 2.431 179.276 176.870 -0.041 0.000 1.073 398 L CA 0.778 55.596 54.840 -0.036 0.000 0.753 398 L CB -0.251 41.786 42.059 -0.038 0.000 0.890 398 L HN 0.017 nan 8.230 nan 0.000 0.432 399 I N -0.749 119.803 120.570 -0.031 0.000 2.151 399 I HA -0.338 3.830 4.170 -0.004 0.000 0.243 399 I C 2.410 178.510 176.117 -0.028 0.000 1.080 399 I CA 1.437 62.721 61.300 -0.026 0.000 1.339 399 I CB -0.408 37.588 38.000 -0.006 0.000 1.039 399 I HN 0.279 nan 8.210 nan 0.000 0.409 400 Q N 0.223 120.011 119.800 -0.020 0.000 2.515 400 Q HA -0.084 4.254 4.340 -0.004 0.000 0.214 400 Q C 1.799 177.784 176.000 -0.024 0.000 0.971 400 Q CA 1.294 57.087 55.803 -0.017 0.000 0.952 400 Q CB -0.312 28.421 28.738 -0.009 0.000 0.999 400 Q HN 0.680 nan 8.270 nan 0.000 0.524 401 T N -3.096 111.437 114.554 -0.036 0.000 3.148 401 T HA 0.058 4.405 4.350 -0.004 0.000 0.253 401 T C 0.810 175.479 174.700 -0.052 0.000 1.134 401 T CA -0.060 62.015 62.100 -0.042 0.000 1.051 401 T CB 0.202 69.039 68.868 -0.051 0.000 0.959 401 T HN 0.160 nan 8.240 nan 0.000 0.525 402 K N -0.643 119.726 120.400 -0.051 0.000 3.547 402 K HA -0.128 4.190 4.320 -0.004 0.000 0.309 402 K C -0.157 176.400 176.600 -0.072 0.000 1.324 402 K CA 0.739 56.998 56.287 -0.047 0.000 0.988 402 K CB -2.353 30.130 32.500 -0.028 0.000 1.261 402 K HN 0.470 nan 8.250 nan 0.000 0.444 403 V N 3.026 122.865 119.914 -0.125 0.000 2.427 403 V HA -0.025 4.093 4.120 -0.004 0.000 0.268 403 V C 1.699 177.634 176.094 -0.265 0.000 1.046 403 V CA 0.574 62.751 62.300 -0.206 0.000 0.970 403 V CB 1.056 32.700 31.823 -0.298 0.000 1.001 403 V HN 0.436 nan 8.190 nan 0.000 0.476 404 N N 5.269 123.882 118.700 -0.144 0.000 2.061 404 N HA -0.306 4.432 4.740 -0.004 0.000 0.193 404 N C 1.721 177.204 175.510 -0.045 0.000 1.030 404 N CA 2.594 55.613 53.050 -0.051 0.000 0.856 404 N CB -0.526 37.981 38.487 0.034 0.000 1.023 404 N HN 0.759 nan 8.380 nan 0.000 0.424 405 Y N -0.986 119.326 120.300 0.020 0.000 2.242 405 Y HA 0.093 4.641 4.550 -0.003 0.000 0.291 405 Y C 2.561 178.470 175.900 0.015 0.000 1.137 405 Y CA 0.658 58.769 58.100 0.018 0.000 1.181 405 Y CB -0.980 37.490 38.460 0.017 0.000 0.989 405 Y HN 0.058 nan 8.280 nan 0.000 0.527 406 V N 0.570 120.231 119.914 -0.422 0.000 2.358 406 V HA -0.227 3.890 4.120 -0.004 0.000 0.246 406 V C 2.342 178.385 176.094 -0.086 0.000 1.047 406 V CA 1.930 64.109 62.300 -0.202 0.000 1.035 406 V CB -0.680 30.958 31.823 -0.307 0.000 0.658 406 V HN 0.429 nan 8.190 nan 0.000 0.452 407 V N 0.443 120.296 119.914 -0.101 0.000 2.250 407 V HA -0.418 3.699 4.120 -0.004 0.000 0.253 407 V C 2.552 178.653 176.094 0.011 0.000 1.065 407 V CA 2.861 65.141 62.300 -0.033 0.000 1.039 407 V CB -0.895 30.914 31.823 -0.022 0.000 0.647 407 V HN 0.661 nan 8.190 nan 0.000 0.446 408 Q N -0.727 119.094 119.800 0.035 0.000 2.016 408 Q HA -0.253 4.085 4.340 -0.004 0.000 0.200 408 Q C 2.338 178.371 176.000 0.056 0.000 0.978 408 Q CA 1.672 57.512 55.803 0.062 0.000 0.833 408 Q CB -0.301 28.488 28.738 0.085 0.000 0.895 408 Q HN 0.670 nan 8.270 nan 0.000 0.427 409 E N 1.397 121.635 120.200 0.064 0.000 2.058 409 E HA -0.212 4.136 4.350 -0.004 0.000 0.194 409 E C 1.798 178.410 176.600 0.020 0.000 0.997 409 E CA 1.559 57.987 56.400 0.047 0.000 0.801 409 E CB -0.397 29.342 29.700 0.065 0.000 0.746 409 E HN 0.316 nan 8.360 nan 0.000 0.450 410 A N 0.931 123.758 122.820 0.011 0.000 1.873 410 A HA -0.304 4.014 4.320 -0.004 0.000 0.219 410 A C 2.441 180.030 177.584 0.008 0.000 1.269 410 A CA 2.394 54.428 52.037 -0.005 0.000 0.671 410 A CB -1.320 17.674 19.000 -0.009 0.000 0.842 410 A HN 0.406 nan 8.150 nan 0.000 0.460 411 I N -0.830 119.761 120.570 0.036 0.000 2.087 411 I HA -0.322 3.846 4.170 -0.004 0.000 0.240 411 I C 2.435 178.591 176.117 0.066 0.000 1.054 411 I CA 1.881 63.224 61.300 0.071 0.000 1.311 411 I CB -0.549 37.508 38.000 0.094 0.000 1.024 411 I HN 0.241 nan 8.210 nan 0.000 0.402 412 V N 0.772 120.713 119.914 0.046 0.000 2.250 412 V HA -0.342 3.776 4.120 -0.004 0.000 0.253 412 V C 2.421 178.512 176.094 -0.005 0.000 1.065 412 V CA 2.427 64.740 62.300 0.021 0.000 1.039 412 V CB -0.741 31.086 31.823 0.007 0.000 0.647 412 V HN 0.356 nan 8.190 nan 0.000 0.446 413 V N -0.349 119.552 119.914 -0.021 0.000 2.287 413 V HA -0.295 3.823 4.120 -0.004 0.000 0.248 413 V C 2.163 178.212 176.094 -0.075 0.000 1.053 413 V CA 2.369 64.636 62.300 -0.054 0.000 1.027 413 V CB -0.851 30.934 31.823 -0.064 0.000 0.646 413 V HN 0.463 nan 8.190 nan 0.000 0.447 414 I N -0.008 120.520 120.570 -0.070 0.000 2.194 414 I HA -0.289 3.879 4.170 -0.004 0.000 0.246 414 I C 2.861 178.935 176.117 -0.072 0.000 1.093 414 I CA 2.142 63.347 61.300 -0.157 0.000 1.355 414 I CB -0.505 37.427 38.000 -0.113 0.000 1.046 414 I HN 0.292 nan 8.210 nan 0.000 0.413 415 R N 1.253 121.842 120.500 0.148 0.000 2.103 415 R HA -0.260 4.078 4.340 -0.004 0.000 0.234 415 R C 1.944 178.283 176.300 0.066 0.000 1.132 415 R CA 2.573 58.834 56.100 0.268 0.000 0.925 415 R CB -0.446 29.935 30.300 0.134 0.000 0.842 415 R HN 0.239 nan 8.270 nan 0.000 0.430 416 D N 0.318 120.680 120.400 -0.064 0.000 2.203 416 D HA -0.187 4.451 4.640 -0.004 0.000 0.199 416 D C 1.876 178.114 176.300 -0.103 0.000 0.997 416 D CA 1.590 55.522 54.000 -0.112 0.000 0.863 416 D CB -0.201 40.531 40.800 -0.114 0.000 0.928 416 D HN 0.401 nan 8.370 nan 0.000 0.458 417 I N -0.252 120.241 120.570 -0.128 0.000 2.090 417 I HA -0.272 3.896 4.170 -0.004 0.000 0.236 417 I C 2.046 178.126 176.117 -0.061 0.000 1.064 417 I CA 0.782 61.967 61.300 -0.192 0.000 1.324 417 I CB -0.507 37.297 38.000 -0.327 0.000 1.044 417 I HN -0.112 nan 8.210 nan 0.000 0.399 418 F N 1.313 121.348 119.950 0.141 0.000 2.176 418 F HA -0.254 4.271 4.527 -0.004 0.000 0.301 418 F C 2.616 178.579 175.800 0.271 0.000 1.071 418 F CA 1.546 59.731 58.000 0.308 0.000 1.289 418 F CB -0.758 38.530 39.000 0.481 0.000 1.028 418 F HN 0.002 nan 8.300 nan 0.000 0.494 419 R N -0.663 120.020 120.500 0.306 0.000 2.193 419 R HA -0.089 4.249 4.340 -0.004 0.000 0.213 419 R C 1.998 178.309 176.300 0.020 0.000 1.055 419 R CA 0.796 56.991 56.100 0.158 0.000 0.995 419 R CB -0.134 30.149 30.300 -0.029 0.000 0.893 419 R HN 0.067 nan 8.270 nan 0.000 0.459 420 K N 0.082 120.404 120.400 -0.129 0.000 2.202 420 K HA 0.003 4.321 4.320 -0.004 0.000 0.201 420 K C -0.146 176.205 176.600 -0.414 0.000 1.051 420 K CA 1.005 57.066 56.287 -0.376 0.000 0.977 420 K CB 0.372 32.466 32.500 -0.677 0.000 0.792 420 K HN 0.069 nan 8.250 nan 0.000 0.469 421 Y N 2.575 122.999 120.300 0.207 0.000 2.960 421 Y HA 0.362 4.910 4.550 -0.003 0.000 0.343 421 Y C -2.187 173.940 175.900 0.377 0.000 1.106 421 Y CA -2.962 55.309 58.100 0.285 0.000 1.221 421 Y CB 0.715 39.419 38.460 0.407 0.000 1.232 421 Y HN 0.059 nan 8.280 nan 0.000 0.577 422 P HA 0.134 nan 4.420 nan 0.000 0.278 422 P C -0.692 176.800 177.300 0.321 0.000 1.258 422 P CA -0.548 62.811 63.100 0.432 0.000 0.811 422 P CB 0.783 32.678 31.700 0.325 0.000 1.063 423 N N -0.205 118.657 118.700 0.270 0.000 2.608 423 N HA -0.187 4.551 4.740 -0.004 0.000 0.273 423 N C 0.182 175.737 175.510 0.074 0.000 1.133 423 N CA 1.220 54.356 53.050 0.143 0.000 0.726 423 N CB -1.152 37.401 38.487 0.110 0.000 0.890 423 N HN 0.637 nan 8.380 nan 0.000 0.548 424 K N -0.840 119.575 120.400 0.025 0.000 3.132 424 K HA 0.102 4.420 4.320 -0.004 0.000 0.256 424 K C -0.253 176.143 176.600 -0.341 0.000 2.543 424 K CA -0.158 55.962 56.287 -0.278 0.000 1.546 424 K CB -0.162 32.022 32.500 -0.527 0.000 2.799 424 K HN 0.133 nan 8.250 nan 0.000 0.477 425 Y N 3.243 123.666 120.300 0.205 0.000 2.583 425 Y HA 0.218 4.766 4.550 -0.003 0.000 0.294 425 Y C 0.840 176.912 175.900 0.286 0.000 1.170 425 Y CA -0.052 58.179 58.100 0.217 0.000 1.265 425 Y CB 0.156 38.668 38.460 0.087 0.000 1.119 425 Y HN 0.171 nan 8.280 nan 0.000 0.522 426 E N -0.175 120.094 120.200 0.115 0.000 2.253 426 E HA -0.241 4.107 4.350 -0.004 0.000 0.202 426 E C 1.603 178.165 176.600 -0.064 0.000 1.014 426 E CA 1.681 57.976 56.400 -0.174 0.000 0.823 426 E CB -0.324 29.258 29.700 -0.196 0.000 0.736 426 E HN 0.468 nan 8.360 nan 0.000 0.478 427 S N 1.027 116.742 115.700 0.025 0.000 2.474 427 S HA -0.053 4.415 4.470 -0.004 0.000 0.235 427 S C 2.007 176.636 174.600 0.048 0.000 0.997 427 S CA 0.727 58.941 58.200 0.022 0.000 0.949 427 S CB -0.260 62.955 63.200 0.026 0.000 0.766 427 S HN 0.269 nan 8.310 nan 0.000 0.517 428 I N 0.783 121.417 120.570 0.106 0.000 3.059 428 I HA 0.047 4.215 4.170 -0.004 0.000 0.270 428 I C 1.760 177.931 176.117 0.089 0.000 1.238 428 I CA 0.476 61.847 61.300 0.120 0.000 1.478 428 I CB -0.450 37.670 38.000 0.200 0.000 1.097 428 I HN 0.186 nan 8.210 nan 0.000 0.455 429 I N 1.580 122.177 120.570 0.045 0.000 2.208 429 I HA -0.303 3.865 4.170 -0.004 0.000 0.245 429 I C 2.886 179.027 176.117 0.040 0.000 1.097 429 I CA 1.465 62.782 61.300 0.029 0.000 1.363 429 I CB -0.406 37.553 38.000 -0.069 0.000 1.051 429 I HN 0.240 nan 8.210 nan 0.000 0.413 430 A N 0.332 123.167 122.820 0.026 0.000 1.883 430 A HA -0.239 4.079 4.320 -0.004 0.000 0.217 430 A C 2.359 179.963 177.584 0.034 0.000 1.186 430 A CA 2.533 54.586 52.037 0.026 0.000 0.624 430 A CB -1.193 17.816 19.000 0.016 0.000 0.822 430 A HN 0.381 nan 8.150 nan 0.000 0.444 431 T N 0.395 114.972 114.554 0.038 0.000 2.536 431 T HA -0.245 4.103 4.350 -0.004 0.000 0.263 431 T C 1.760 176.490 174.700 0.050 0.000 1.115 431 T CA 1.937 64.062 62.100 0.041 0.000 1.180 431 T CB -0.566 68.330 68.868 0.047 0.000 0.864 431 T HN 0.221 nan 8.240 nan 0.000 0.419 432 L N 0.743 122.008 121.223 0.070 0.000 1.978 432 L HA -0.163 4.175 4.340 -0.004 0.000 0.218 432 L C 2.950 179.866 176.870 0.076 0.000 1.075 432 L CA 1.560 56.451 54.840 0.085 0.000 0.767 432 L CB -1.407 40.727 42.059 0.125 0.000 0.890 432 L HN 0.483 nan 8.230 nan 0.000 0.434 433 C N -0.949 118.394 119.300 0.072 0.000 2.403 433 C HA -0.195 4.263 4.460 -0.004 0.000 0.279 433 C C 2.523 177.540 174.990 0.046 0.000 1.269 433 C CA 0.584 59.641 59.018 0.064 0.000 1.774 433 C CB -1.031 26.741 27.740 0.055 0.000 1.993 433 C HN 0.566 nan 8.230 nan 0.000 0.496 434 E N 1.044 121.265 120.200 0.036 0.000 2.005 434 E HA -0.167 4.181 4.350 -0.004 0.000 0.198 434 E C 0.540 177.154 176.600 0.023 0.000 1.010 434 E CA 1.268 57.682 56.400 0.024 0.000 0.825 434 E CB -0.276 29.436 29.700 0.019 0.000 0.769 434 E HN 0.715 nan 8.360 nan 0.000 0.456 435 N N 0.610 119.326 118.700 0.027 0.000 3.124 435 N HA 0.155 4.893 4.740 -0.004 0.000 0.284 435 N C 0.200 175.734 175.510 0.041 0.000 1.209 435 N CA -0.024 53.041 53.050 0.025 0.000 1.149 435 N CB 0.737 39.235 38.487 0.018 0.000 1.434 435 N HN 0.150 nan 8.380 nan 0.000 0.529 436 L N 0.076 121.325 121.223 0.044 0.000 2.664 436 L HA 0.262 4.600 4.340 -0.004 0.000 0.198 436 L C 0.519 177.417 176.870 0.046 0.000 1.057 436 L CA 0.131 55.012 54.840 0.068 0.000 0.871 436 L CB -0.001 42.116 42.059 0.096 0.000 1.364 436 L HN 0.100 nan 8.230 nan 0.000 0.483 437 D N 0.600 121.002 120.400 0.004 0.000 2.429 437 D HA -0.146 4.492 4.640 -0.004 0.000 0.234 437 D C 0.478 176.769 176.300 -0.014 0.000 1.053 437 D CA 1.019 54.997 54.000 -0.037 0.000 1.012 437 D CB -0.558 40.217 40.800 -0.042 0.000 0.859 437 D HN 0.358 nan 8.370 nan 0.000 0.513 438 S N -0.859 114.850 115.700 0.015 0.000 3.041 438 S HA 0.198 4.666 4.470 -0.004 0.000 0.250 438 S C 0.046 174.674 174.600 0.046 0.000 0.898 438 S CA -0.655 57.559 58.200 0.024 0.000 1.100 438 S CB 0.290 63.502 63.200 0.019 0.000 1.149 438 S HN 0.197 nan 8.310 nan 0.000 0.540 439 L N 3.359 124.621 121.223 0.066 0.000 2.287 439 L HA 0.423 4.761 4.340 -0.004 0.000 0.280 439 L C -0.061 176.868 176.870 0.098 0.000 1.055 439 L CA -0.355 54.541 54.840 0.092 0.000 0.863 439 L CB 0.621 42.757 42.059 0.129 0.000 1.245 439 L HN 0.208 nan 8.230 nan 0.000 0.432 440 D N 0.572 121.018 120.400 0.077 0.000 2.462 440 D HA 0.082 4.720 4.640 -0.004 0.000 0.221 440 D C 0.085 176.424 176.300 0.064 0.000 1.173 440 D CA -0.237 53.805 54.000 0.069 0.000 0.831 440 D CB 0.453 41.283 40.800 0.050 0.000 1.001 440 D HN 0.406 nan 8.370 nan 0.000 0.499 441 E N 1.466 121.708 120.200 0.070 0.000 2.179 441 E HA 0.211 4.559 4.350 -0.004 0.000 0.275 441 E C -1.711 174.921 176.600 0.054 0.000 0.945 441 E CA -2.150 54.283 56.400 0.055 0.000 0.792 441 E CB 2.227 31.959 29.700 0.054 0.000 1.125 441 E HN -0.209 nan 8.360 nan 0.000 0.397 442 P HA -0.308 nan 4.420 nan 0.000 0.219 442 P C 0.766 178.075 177.300 0.016 0.000 1.159 442 P CA 1.507 64.618 63.100 0.018 0.000 0.944 442 P CB 0.243 31.946 31.700 0.004 0.000 0.792 443 D N -1.127 119.282 120.400 0.015 0.000 2.178 443 D HA -0.096 4.542 4.640 -0.004 0.000 0.201 443 D C 1.950 178.270 176.300 0.032 0.000 0.980 443 D CA 1.270 55.277 54.000 0.012 0.000 0.842 443 D CB -0.065 40.736 40.800 0.002 0.000 0.948 443 D HN 0.051 nan 8.370 nan 0.000 0.472 444 A N 1.622 124.473 122.820 0.051 0.000 1.851 444 A HA -0.224 4.094 4.320 -0.004 0.000 0.216 444 A C 2.193 179.835 177.584 0.096 0.000 1.195 444 A CA 1.368 53.451 52.037 0.077 0.000 0.622 444 A CB -0.561 18.491 19.000 0.086 0.000 0.831 444 A HN 0.162 nan 8.150 nan 0.000 0.444 445 R N -0.473 120.087 120.500 0.100 0.000 2.094 445 R HA -0.166 4.172 4.340 -0.004 0.000 0.239 445 R C 2.516 178.807 176.300 -0.015 0.000 1.137 445 R CA 1.435 57.586 56.100 0.084 0.000 0.943 445 R CB -0.703 29.655 30.300 0.097 0.000 0.850 445 R HN 0.530 nan 8.270 nan 0.000 0.433 446 A N 1.453 124.269 122.820 -0.007 0.000 1.873 446 A HA -0.223 4.095 4.320 -0.004 0.000 0.218 446 A C 2.445 180.067 177.584 0.065 0.000 1.193 446 A CA 2.118 54.153 52.037 -0.004 0.000 0.629 446 A CB -0.918 18.077 19.000 -0.009 0.000 0.826 446 A HN 0.457 nan 8.150 nan 0.000 0.447 447 A N -1.825 121.041 122.820 0.077 0.000 1.898 447 A HA -0.059 4.259 4.320 -0.004 0.000 0.216 447 A C 2.209 179.942 177.584 0.249 0.000 1.181 447 A CA 1.924 54.049 52.037 0.146 0.000 0.620 447 A CB -0.433 18.627 19.000 0.100 0.000 0.819 447 A HN 0.441 nan 8.150 nan 0.000 0.442 448 M N -0.582 119.121 119.600 0.172 0.000 2.200 448 M HA 0.040 4.518 4.480 -0.004 0.000 0.265 448 M C 2.018 178.406 176.300 0.145 0.000 1.066 448 M CA 1.294 56.703 55.300 0.182 0.000 1.127 448 M CB -0.805 31.904 32.600 0.181 0.000 1.379 448 M HN 0.443 nan 8.290 nan 0.000 0.420 449 I N -1.740 118.860 120.570 0.050 0.000 2.353 449 I HA -0.294 3.873 4.170 -0.004 0.000 0.248 449 I C 2.225 178.367 176.117 0.042 0.000 1.119 449 I CA 0.909 62.177 61.300 -0.054 0.000 1.417 449 I CB -0.347 37.468 38.000 -0.309 0.000 1.078 449 I HN 0.409 nan 8.210 nan 0.000 0.421 450 W N 1.753 123.022 121.300 -0.052 0.000 2.363 450 W HA -0.177 4.481 4.660 -0.004 0.000 0.296 450 W C 2.106 178.614 176.519 -0.018 0.000 1.212 450 W CA 1.453 58.779 57.345 -0.033 0.000 1.260 450 W CB -0.161 29.293 29.460 -0.011 0.000 1.131 450 W HN -0.009 nan 8.180 nan 0.000 0.530 451 I N 0.021 120.725 120.570 0.224 0.000 2.045 451 I HA -0.384 3.784 4.170 -0.004 0.000 0.233 451 I C 2.278 178.309 176.117 -0.144 0.000 1.048 451 I CA 1.969 63.276 61.300 0.013 0.000 1.313 451 I CB -1.275 36.870 38.000 0.243 0.000 1.043 451 I HN -0.236 nan 8.210 nan 0.000 0.393 452 V N 1.277 121.175 119.914 -0.027 0.000 2.527 452 V HA -0.297 3.821 4.120 -0.004 0.000 0.255 452 V C 2.314 178.337 176.094 -0.119 0.000 1.081 452 V CA 2.093 64.372 62.300 -0.034 0.000 1.092 452 V CB -1.735 30.109 31.823 0.035 0.000 0.673 452 V HN 0.674 nan 8.190 nan 0.000 0.470 453 G N -0.833 107.846 108.800 -0.202 0.000 2.616 453 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.215 453 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.215 453 G C 1.344 175.997 174.900 -0.412 0.000 1.284 453 G CA 0.704 45.641 45.100 -0.272 0.000 0.823 453 G HN 0.393 nan 8.290 nan 0.000 0.569 454 E N 0.486 120.239 120.200 -0.746 0.000 2.160 454 E HA -0.208 4.140 4.350 -0.004 0.000 0.237 454 E C 1.366 177.551 176.600 -0.691 0.000 1.069 454 E CA 1.355 57.190 56.400 -0.942 0.000 0.950 454 E CB -0.620 28.099 29.700 -1.636 0.000 0.832 454 E HN 0.579 nan 8.360 nan 0.000 0.496 455 Y N -0.520 119.546 120.300 -0.389 0.000 2.928 455 Y HA 0.308 4.855 4.550 -0.003 0.000 0.390 455 Y C 1.218 177.005 175.900 -0.188 0.000 1.101 455 Y CA -0.070 57.867 58.100 -0.271 0.000 1.777 455 Y CB 0.100 38.377 38.460 -0.304 0.000 1.720 455 Y HN 0.096 nan 8.280 nan 0.000 0.484 456 A N 0.136 122.902 122.820 -0.090 0.000 1.935 456 A HA -0.115 4.203 4.320 -0.004 0.000 0.214 456 A C 2.239 179.797 177.584 -0.043 0.000 1.178 456 A CA 0.951 52.950 52.037 -0.064 0.000 0.640 456 A CB -0.131 18.816 19.000 -0.087 0.000 0.825 456 A HN 0.555 nan 8.150 nan 0.000 0.447 457 E N 0.788 120.957 120.200 -0.051 0.000 2.108 457 E HA -0.348 4.000 4.350 -0.004 0.000 0.203 457 E C 1.917 178.507 176.600 -0.017 0.000 1.022 457 E CA 1.846 58.224 56.400 -0.036 0.000 0.823 457 E CB -0.569 29.109 29.700 -0.036 0.000 0.744 457 E HN 0.511 nan 8.360 nan 0.000 0.456 458 R N 0.879 121.380 120.500 0.001 0.000 2.073 458 R HA 0.053 4.391 4.340 -0.004 0.000 0.234 458 R C 1.077 177.372 176.300 -0.009 0.000 1.134 458 R CA 1.144 57.243 56.100 -0.002 0.000 0.952 458 R CB -0.200 30.100 30.300 -0.000 0.000 0.850 458 R HN 0.221 nan 8.270 nan 0.000 0.433 459 I N 1.997 122.563 120.570 -0.008 0.000 2.241 459 I HA 0.055 4.223 4.170 -0.004 0.000 0.294 459 I C 0.063 176.175 176.117 -0.009 0.000 1.145 459 I CA -0.385 60.911 61.300 -0.007 0.000 1.261 459 I CB 1.155 39.154 38.000 -0.002 0.000 1.475 459 I HN 0.213 nan 8.210 nan 0.000 0.533 460 D N 2.508 122.903 120.400 -0.009 0.000 2.309 460 D HA -0.225 4.413 4.640 -0.004 0.000 0.212 460 D C 1.502 177.799 176.300 -0.004 0.000 0.968 460 D CA 0.898 54.892 54.000 -0.009 0.000 0.882 460 D CB -0.179 40.615 40.800 -0.009 0.000 0.918 460 D HN 0.418 nan 8.370 nan 0.000 0.503 461 N N 0.489 119.189 118.700 0.001 0.000 2.270 461 N HA -0.037 4.700 4.740 -0.004 0.000 0.181 461 N C 1.763 177.280 175.510 0.011 0.000 1.016 461 N CA 1.341 54.395 53.050 0.006 0.000 0.870 461 N CB -0.320 38.173 38.487 0.010 0.000 0.979 461 N HN 0.197 nan 8.380 nan 0.000 0.431 462 A N 1.278 124.104 122.820 0.010 0.000 2.009 462 A HA -0.278 4.040 4.320 -0.004 0.000 0.222 462 A C 1.682 179.282 177.584 0.026 0.000 1.175 462 A CA 2.168 54.216 52.037 0.018 0.000 0.651 462 A CB -0.904 18.096 19.000 0.000 0.000 0.815 462 A HN 0.653 nan 8.150 nan 0.000 0.459 463 D N 0.132 120.542 120.400 0.017 0.000 2.127 463 D HA -0.264 4.374 4.640 -0.004 0.000 0.190 463 D C 1.594 177.908 176.300 0.023 0.000 1.000 463 D CA 1.799 55.809 54.000 0.018 0.000 0.839 463 D CB -0.875 39.932 40.800 0.011 0.000 0.955 463 D HN 0.685 nan 8.370 nan 0.000 0.446 464 E N 0.533 120.744 120.200 0.018 0.000 2.085 464 E HA -0.119 4.229 4.350 -0.004 0.000 0.194 464 E C 2.530 179.144 176.600 0.025 0.000 0.994 464 E CA 0.737 57.146 56.400 0.014 0.000 0.801 464 E CB -0.126 29.577 29.700 0.006 0.000 0.743 464 E HN 0.344 nan 8.360 nan 0.000 0.453 465 L N 0.358 121.611 121.223 0.049 0.000 2.023 465 L HA -0.157 4.181 4.340 -0.004 0.000 0.205 465 L C 2.474 179.466 176.870 0.203 0.000 1.073 465 L CA 0.898 55.794 54.840 0.094 0.000 0.745 465 L CB -0.521 41.611 42.059 0.122 0.000 0.900 465 L HN 0.173 nan 8.230 nan 0.000 0.435 466 L N -0.451 120.879 121.223 0.179 0.000 2.027 466 L HA -0.178 4.160 4.340 -0.004 0.000 0.206 466 L C 2.576 179.549 176.870 0.172 0.000 1.074 466 L CA 1.318 56.286 54.840 0.213 0.000 0.745 466 L CB -0.679 41.438 42.059 0.097 0.000 0.898 466 L HN 0.360 nan 8.230 nan 0.000 0.433 467 E N 0.315 120.566 120.200 0.084 0.000 2.338 467 E HA -0.187 4.161 4.350 -0.004 0.000 0.197 467 E C 2.242 178.868 176.600 0.043 0.000 1.007 467 E CA 1.165 57.594 56.400 0.049 0.000 0.849 467 E CB 0.193 29.903 29.700 0.016 0.000 0.774 467 E HN 0.483 nan 8.360 nan 0.000 0.506 468 S N 0.036 115.755 115.700 0.031 0.000 2.338 468 S HA -0.165 4.302 4.470 -0.004 0.000 0.218 468 S C 1.856 176.442 174.600 -0.023 0.000 1.032 468 S CA 0.879 59.057 58.200 -0.037 0.000 0.999 468 S CB -0.894 62.230 63.200 -0.127 0.000 0.905 468 S HN 0.322 nan 8.310 nan 0.000 0.439 469 F N 1.843 121.811 119.950 0.030 0.000 2.225 469 F HA 0.010 4.535 4.527 -0.004 0.000 0.302 469 F C 1.948 177.794 175.800 0.076 0.000 1.068 469 F CA 1.078 59.107 58.000 0.048 0.000 1.327 469 F CB -0.275 38.759 39.000 0.058 0.000 1.043 469 F HN 0.221 nan 8.300 nan 0.000 0.506 470 L N -0.171 121.195 121.223 0.238 0.000 2.650 470 L HA -0.093 4.245 4.340 -0.004 0.000 0.235 470 L C 2.032 178.979 176.870 0.128 0.000 1.149 470 L CA 0.194 55.141 54.840 0.179 0.000 0.887 470 L CB -0.541 41.552 42.059 0.057 0.000 1.021 470 L HN 0.129 nan 8.230 nan 0.000 0.441 471 E N 1.674 121.933 120.200 0.099 0.000 2.001 471 E HA -0.132 4.216 4.350 -0.004 0.000 0.195 471 E C 1.294 177.948 176.600 0.091 0.000 1.002 471 E CA 1.432 57.871 56.400 0.066 0.000 0.819 471 E CB -0.220 29.498 29.700 0.030 0.000 0.769 471 E HN 0.205 nan 8.360 nan 0.000 0.454 472 G N -0.493 108.364 108.800 0.096 0.000 3.161 472 G HA2 0.232 4.190 3.960 -0.004 0.000 0.328 472 G HA3 0.232 4.190 3.960 -0.004 0.000 0.328 472 G C -0.062 174.909 174.900 0.118 0.000 1.037 472 G CA -0.359 44.804 45.100 0.104 0.000 1.416 472 G HN 0.294 nan 8.290 nan 0.000 0.486 473 F N 2.282 122.224 119.950 -0.014 0.000 2.206 473 F HA 0.130 4.654 4.527 -0.004 0.000 0.298 473 F C 1.546 177.256 175.800 -0.150 0.000 1.090 473 F CA 0.710 58.651 58.000 -0.098 0.000 1.323 473 F CB -0.012 38.867 39.000 -0.202 0.000 1.028 473 F HN 0.441 nan 8.300 nan 0.000 0.492 474 H N 0.751 119.802 119.070 -0.030 0.000 2.136 474 H HA 0.052 4.606 4.556 -0.003 0.000 0.311 474 H C 0.312 175.574 175.328 -0.109 0.000 1.737 474 H CA 0.540 56.519 56.048 -0.114 0.000 1.439 474 H CB -0.104 29.671 29.762 0.022 0.000 1.733 474 H HN 0.135 nan 8.280 nan 0.000 0.637 475 D N 0.262 120.713 120.400 0.085 0.000 2.764 475 D HA -0.253 4.385 4.640 -0.004 0.000 0.223 475 D C -0.800 175.487 176.300 -0.022 0.000 1.207 475 D CA 0.717 54.730 54.000 0.022 0.000 0.614 475 D CB -1.111 39.711 40.800 0.036 0.000 1.007 475 D HN 0.511 nan 8.370 nan 0.000 0.407 476 E N 0.082 120.229 120.200 -0.088 0.000 2.291 476 E HA 0.229 4.577 4.350 -0.004 0.000 0.276 476 E C -0.335 176.185 176.600 -0.133 0.000 0.896 476 E CA -0.717 55.622 56.400 -0.102 0.000 0.774 476 E CB 1.959 31.566 29.700 -0.154 0.000 1.227 476 E HN 0.267 nan 8.360 nan 0.000 0.413 477 S N 2.039 117.693 115.700 -0.076 0.000 3.332 477 S HA -0.188 4.280 4.470 -0.004 0.000 0.398 477 S C 1.615 176.154 174.600 -0.101 0.000 1.174 477 S CA 1.087 59.245 58.200 -0.069 0.000 0.953 477 S CB 0.252 63.426 63.200 -0.045 0.000 0.664 477 S HN 0.730 nan 8.310 nan 0.000 0.491 478 T N 1.902 116.412 114.554 -0.075 0.000 2.680 478 T HA -0.338 4.010 4.350 -0.004 0.000 0.268 478 T C 1.666 176.335 174.700 -0.053 0.000 1.033 478 T CA 1.963 64.025 62.100 -0.064 0.000 1.152 478 T CB -0.764 68.090 68.868 -0.023 0.000 0.859 478 T HN 0.831 nan 8.240 nan 0.000 0.452 479 Q N 0.644 120.420 119.800 -0.041 0.000 2.084 479 Q HA -0.110 4.228 4.340 -0.004 0.000 0.202 479 Q C 2.436 178.412 176.000 -0.040 0.000 0.978 479 Q CA 1.862 57.647 55.803 -0.030 0.000 0.844 479 Q CB -0.446 28.277 28.738 -0.025 0.000 0.898 479 Q HN 0.562 nan 8.270 nan 0.000 0.426 480 V N 1.513 121.388 119.914 -0.065 0.000 2.218 480 V HA -0.395 3.723 4.120 -0.004 0.000 0.251 480 V C 2.405 178.434 176.094 -0.107 0.000 1.057 480 V CA 2.546 64.786 62.300 -0.100 0.000 1.022 480 V CB -0.865 30.891 31.823 -0.111 0.000 0.645 480 V HN 0.512 nan 8.190 nan 0.000 0.451 481 Q N -0.714 118.986 119.800 -0.167 0.000 1.858 481 Q HA -0.277 4.061 4.340 -0.004 0.000 0.240 481 Q C 2.286 178.337 176.000 0.084 0.000 1.014 481 Q CA 2.397 58.119 55.803 -0.135 0.000 0.884 481 Q CB -0.631 27.865 28.738 -0.403 0.000 0.957 481 Q HN 0.495 nan 8.270 nan 0.000 0.419 482 L N 0.007 121.269 121.223 0.065 0.000 2.125 482 L HA -0.402 3.936 4.340 -0.004 0.000 0.234 482 L C 2.569 179.496 176.870 0.095 0.000 1.110 482 L CA 1.996 56.886 54.840 0.084 0.000 0.832 482 L CB -0.671 41.413 42.059 0.042 0.000 0.922 482 L HN 0.453 nan 8.230 nan 0.000 0.449 483 T N -0.590 113.999 114.554 0.059 0.000 2.746 483 T HA -0.218 4.130 4.350 -0.004 0.000 0.267 483 T C 1.711 176.448 174.700 0.062 0.000 1.039 483 T CA 1.550 63.694 62.100 0.073 0.000 1.142 483 T CB -0.208 68.690 68.868 0.049 0.000 0.866 483 T HN 0.350 nan 8.240 nan 0.000 0.444 484 L N 0.872 122.108 121.223 0.022 0.000 2.131 484 L HA 0.008 4.346 4.340 -0.004 0.000 0.210 484 L C 2.203 179.098 176.870 0.042 0.000 1.092 484 L CA 1.165 56.005 54.840 -0.001 0.000 0.759 484 L CB -0.317 41.748 42.059 0.010 0.000 0.903 484 L HN 0.280 nan 8.230 nan 0.000 0.435 485 L N -0.934 120.349 121.223 0.099 0.000 1.961 485 L HA -0.199 4.139 4.340 -0.004 0.000 0.209 485 L C 2.516 179.432 176.870 0.076 0.000 1.075 485 L CA 2.488 57.375 54.840 0.079 0.000 0.749 485 L CB -1.004 41.138 42.059 0.137 0.000 0.890 485 L HN 0.373 nan 8.230 nan 0.000 0.433 486 T N 0.003 114.669 114.554 0.186 0.000 2.665 486 T HA -0.244 4.104 4.350 -0.004 0.000 0.268 486 T C 1.975 176.667 174.700 -0.013 0.000 1.035 486 T CA 2.055 64.252 62.100 0.163 0.000 1.151 486 T CB -0.342 68.710 68.868 0.308 0.000 0.862 486 T HN 0.621 nan 8.240 nan 0.000 0.438 487 A N 1.299 124.126 122.820 0.011 0.000 1.896 487 A HA -0.129 4.189 4.320 -0.004 0.000 0.220 487 A C 2.372 179.903 177.584 -0.089 0.000 1.206 487 A CA 2.206 54.207 52.037 -0.060 0.000 0.647 487 A CB -0.984 17.986 19.000 -0.050 0.000 0.828 487 A HN 0.684 nan 8.150 nan 0.000 0.455 488 I N -0.533 119.992 120.570 -0.076 0.000 2.202 488 I HA -0.191 3.977 4.170 -0.004 0.000 0.242 488 I C 2.556 178.614 176.117 -0.098 0.000 1.091 488 I CA 1.470 62.721 61.300 -0.082 0.000 1.368 488 I CB -0.548 37.396 38.000 -0.093 0.000 1.058 488 I HN 0.358 nan 8.210 nan 0.000 0.410 489 V N 0.931 120.734 119.914 -0.184 0.000 2.332 489 V HA -0.317 3.801 4.120 -0.004 0.000 0.248 489 V C 2.435 178.452 176.094 -0.128 0.000 1.055 489 V CA 1.946 64.117 62.300 -0.215 0.000 1.038 489 V CB -0.538 30.961 31.823 -0.541 0.000 0.651 489 V HN 0.365 nan 8.190 nan 0.000 0.450 490 K N -0.378 119.921 120.400 -0.169 0.000 1.988 490 K HA -0.252 4.066 4.320 -0.004 0.000 0.221 490 K C 2.258 178.798 176.600 -0.100 0.000 1.053 490 K CA 2.537 58.740 56.287 -0.140 0.000 0.959 490 K CB -0.677 31.722 32.500 -0.168 0.000 0.728 490 K HN 0.613 nan 8.250 nan 0.000 0.447 491 L N 0.495 121.668 121.223 -0.083 0.000 1.991 491 L HA -0.283 4.055 4.340 -0.004 0.000 0.221 491 L C 2.325 179.189 176.870 -0.010 0.000 1.079 491 L CA 1.874 56.682 54.840 -0.053 0.000 0.778 491 L CB -0.548 41.493 42.059 -0.029 0.000 0.893 491 L HN 0.196 nan 8.230 nan 0.000 0.437 492 F N 0.144 120.021 119.950 -0.122 0.000 2.027 492 F HA -0.325 4.200 4.527 -0.003 0.000 0.297 492 F C 2.208 177.950 175.800 -0.096 0.000 1.129 492 F CA 2.181 60.117 58.000 -0.106 0.000 1.195 492 F CB -0.673 38.255 39.000 -0.120 0.000 0.960 492 F HN 0.044 nan 8.300 nan 0.000 0.485 493 L N 0.165 121.307 121.223 -0.135 0.000 2.010 493 L HA -0.344 3.994 4.340 -0.004 0.000 0.219 493 L C 2.693 179.405 176.870 -0.263 0.000 1.077 493 L CA 2.247 56.944 54.840 -0.237 0.000 0.773 493 L CB -0.970 41.026 42.059 -0.105 0.000 0.892 493 L HN 0.235 nan 8.230 nan 0.000 0.436 494 K N 0.639 120.927 120.400 -0.186 0.000 2.103 494 K HA -0.097 4.221 4.320 -0.004 0.000 0.204 494 K C 1.035 177.532 176.600 -0.173 0.000 1.052 494 K CA 1.233 57.424 56.287 -0.160 0.000 0.945 494 K CB 0.166 32.591 32.500 -0.126 0.000 0.722 494 K HN 0.275 nan 8.250 nan 0.000 0.443 495 K N 0.296 120.585 120.400 -0.185 0.000 3.010 495 K HA 0.163 4.481 4.320 -0.004 0.000 0.211 495 K C -2.126 174.350 176.600 -0.206 0.000 1.146 495 K CA -1.205 54.990 56.287 -0.153 0.000 1.070 495 K CB 0.950 33.402 32.500 -0.081 0.000 0.908 495 K HN -0.066 nan 8.250 nan 0.000 0.463 496 P HA -0.228 nan 4.420 nan 0.000 0.218 496 P C 0.919 178.118 177.300 -0.169 0.000 1.146 496 P CA 1.308 64.053 63.100 -0.593 0.000 0.813 496 P CB 0.053 31.329 31.700 -0.706 0.000 0.778 497 S N -1.708 113.922 115.700 -0.117 0.000 2.584 497 S HA -0.085 4.383 4.470 -0.004 0.000 0.240 497 S C 1.244 175.844 174.600 0.000 0.000 0.975 497 S CA 0.852 59.026 58.200 -0.043 0.000 0.949 497 S CB -0.563 62.608 63.200 -0.048 0.000 0.761 497 S HN 0.096 nan 8.310 nan 0.000 0.536 498 E N 0.325 120.538 120.200 0.021 0.000 2.945 498 E HA 0.163 4.511 4.350 -0.004 0.000 0.196 498 E C -0.620 176.025 176.600 0.075 0.000 0.965 498 E CA 0.138 56.560 56.400 0.037 0.000 1.270 498 E CB 1.104 30.811 29.700 0.013 0.000 1.045 498 E HN 0.463 nan 8.360 nan 0.000 0.474 499 T N -0.003 114.647 114.554 0.159 0.000 3.748 499 T HA 0.193 4.540 4.350 -0.004 0.000 0.281 499 T C 1.081 175.884 174.700 0.172 0.000 0.977 499 T CA -0.381 61.855 62.100 0.226 0.000 1.056 499 T CB 0.912 70.063 68.868 0.472 0.000 1.138 499 T HN -0.153 nan 8.240 nan 0.000 0.498 500 Q N 1.789 121.641 119.800 0.088 0.000 1.890 500 Q HA -0.040 4.298 4.340 -0.004 0.000 0.208 500 Q C 1.972 177.901 176.000 -0.118 0.000 0.982 500 Q CA 1.432 57.228 55.803 -0.012 0.000 0.856 500 Q CB -0.143 28.604 28.738 0.016 0.000 0.915 500 Q HN 0.632 nan 8.270 nan 0.000 0.427 501 E N 0.648 120.803 120.200 -0.075 0.000 2.339 501 E HA -0.173 4.175 4.350 -0.004 0.000 0.201 501 E C 1.981 178.498 176.600 -0.138 0.000 1.015 501 E CA 0.590 56.933 56.400 -0.096 0.000 0.841 501 E CB -0.021 29.645 29.700 -0.058 0.000 0.754 501 E HN 0.235 nan 8.360 nan 0.000 0.508 502 L N 0.480 121.618 121.223 -0.141 0.000 2.071 502 L HA -0.086 4.252 4.340 -0.004 0.000 0.201 502 L C 2.823 179.524 176.870 -0.282 0.000 1.076 502 L CA 1.114 55.854 54.840 -0.167 0.000 0.755 502 L CB -1.324 40.680 42.059 -0.092 0.000 0.915 502 L HN 0.124 nan 8.230 nan 0.000 0.445 503 V N -2.325 117.336 119.914 -0.422 0.000 2.594 503 V HA -0.235 3.882 4.120 -0.004 0.000 0.253 503 V C 2.401 178.186 176.094 -0.514 0.000 1.069 503 V CA 1.107 63.077 62.300 -0.549 0.000 1.082 503 V CB -0.811 30.490 31.823 -0.869 0.000 0.680 503 V HN 0.456 nan 8.190 nan 0.000 0.469 504 Q N 1.372 120.915 119.800 -0.428 0.000 1.708 504 Q HA -0.323 4.015 4.340 -0.004 0.000 0.378 504 Q C 2.542 178.323 176.000 -0.366 0.000 1.010 504 Q CA 3.064 58.654 55.803 -0.354 0.000 0.892 504 Q CB -0.550 28.052 28.738 -0.226 0.000 0.954 504 Q HN 0.942 nan 8.270 nan 0.000 0.405 505 Q N -0.059 119.576 119.800 -0.275 0.000 2.248 505 Q HA -0.141 4.197 4.340 -0.004 0.000 0.208 505 Q C 1.950 177.725 176.000 -0.375 0.000 0.984 505 Q CA 1.839 57.477 55.803 -0.275 0.000 0.875 505 Q CB -0.648 27.976 28.738 -0.189 0.000 0.910 505 Q HN 0.338 nan 8.270 nan 0.000 0.433 506 V N 1.194 120.872 119.914 -0.393 0.000 2.307 506 V HA -0.222 3.896 4.120 -0.004 0.000 0.245 506 V C 2.281 178.074 176.094 -0.503 0.000 1.045 506 V CA 1.358 63.369 62.300 -0.482 0.000 1.024 506 V CB -0.365 31.241 31.823 -0.361 0.000 0.651 506 V HN 0.413 nan 8.190 nan 0.000 0.449 507 L N 0.238 121.152 121.223 -0.516 0.000 2.012 507 L HA -0.182 4.156 4.340 -0.004 0.000 0.210 507 L C 2.854 179.334 176.870 -0.651 0.000 1.073 507 L CA 2.170 56.627 54.840 -0.638 0.000 0.748 507 L CB -0.861 40.644 42.059 -0.924 0.000 0.891 507 L HN 0.565 nan 8.230 nan 0.000 0.431 508 S N 0.374 115.722 115.700 -0.586 0.000 2.369 508 S HA -0.242 4.225 4.470 -0.004 0.000 0.225 508 S C 2.023 176.452 174.600 -0.285 0.000 1.043 508 S CA 1.624 59.595 58.200 -0.381 0.000 1.074 508 S CB -0.440 62.606 63.200 -0.256 0.000 0.962 508 S HN 0.323 nan 8.310 nan 0.000 0.433 509 L N 1.248 122.261 121.223 -0.349 0.000 1.989 509 L HA -0.119 4.219 4.340 -0.004 0.000 0.211 509 L C 3.182 179.925 176.870 -0.212 0.000 1.071 509 L CA 1.517 56.167 54.840 -0.316 0.000 0.749 509 L CB -1.090 40.558 42.059 -0.685 0.000 0.890 509 L HN 0.533 nan 8.230 nan 0.000 0.431 510 A N -1.240 121.382 122.820 -0.330 0.000 1.940 510 A HA -0.232 4.086 4.320 -0.004 0.000 0.219 510 A C 2.354 179.877 177.584 -0.102 0.000 1.176 510 A CA 2.577 54.529 52.037 -0.140 0.000 0.631 510 A CB -0.717 18.174 19.000 -0.181 0.000 0.814 510 A HN 0.396 nan 8.150 nan 0.000 0.446 511 T N -1.943 112.471 114.554 -0.233 0.000 3.037 511 T HA 0.057 4.405 4.350 -0.004 0.000 0.252 511 T C 1.615 176.289 174.700 -0.043 0.000 1.073 511 T CA 0.763 62.648 62.100 -0.357 0.000 1.091 511 T CB -0.004 68.427 68.868 -0.727 0.000 0.935 511 T HN 0.333 nan 8.240 nan 0.000 0.488 512 Q N 0.335 120.143 119.800 0.015 0.000 2.247 512 Q HA 0.247 4.585 4.340 -0.004 0.000 0.211 512 Q C 0.349 176.416 176.000 0.111 0.000 0.861 512 Q CA 0.474 56.335 55.803 0.095 0.000 0.949 512 Q CB 0.836 29.616 28.738 0.071 0.000 1.115 512 Q HN 0.539 nan 8.270 nan 0.000 0.507 513 D N -1.514 118.966 120.400 0.134 0.000 2.006 513 D HA 0.014 4.652 4.640 -0.004 0.000 0.470 513 D C -0.260 176.120 176.300 0.133 0.000 0.943 513 D CA 0.040 54.114 54.000 0.125 0.000 0.970 513 D CB 0.284 41.173 40.800 0.149 0.000 1.599 513 D HN -0.159 nan 8.370 nan 0.000 0.516 514 S N 2.576 118.431 115.700 0.258 0.000 2.885 514 S HA -0.058 4.410 4.470 -0.004 0.000 0.334 514 S C 0.738 175.414 174.600 0.127 0.000 1.224 514 S CA 0.237 58.580 58.200 0.239 0.000 1.080 514 S CB 0.842 64.172 63.200 0.216 0.000 0.801 514 S HN 0.097 nan 8.310 nan 0.000 0.510 515 D N 1.839 122.287 120.400 0.079 0.000 2.269 515 D HA -0.051 4.587 4.640 -0.004 0.000 0.208 515 D C 0.791 177.130 176.300 0.066 0.000 0.963 515 D CA 0.615 54.647 54.000 0.054 0.000 0.864 515 D CB -0.120 40.694 40.800 0.023 0.000 0.936 515 D HN 0.450 nan 8.370 nan 0.000 0.505 516 N N 1.050 119.799 118.700 0.082 0.000 2.427 516 N HA -0.004 4.734 4.740 -0.004 0.000 0.269 516 N C -1.913 173.643 175.510 0.077 0.000 1.235 516 N CA -1.261 51.831 53.050 0.070 0.000 0.934 516 N CB 1.551 40.081 38.487 0.071 0.000 1.121 516 N HN -0.140 nan 8.380 nan 0.000 0.480 517 P HA -0.111 nan 4.420 nan 0.000 0.215 517 P C 0.721 178.059 177.300 0.064 0.000 1.157 517 P CA 1.020 64.159 63.100 0.064 0.000 0.868 517 P CB 0.290 32.017 31.700 0.045 0.000 0.788 518 D N -1.379 119.049 120.400 0.047 0.000 2.144 518 D HA -0.134 4.504 4.640 -0.004 0.000 0.199 518 D C 1.733 178.059 176.300 0.043 0.000 0.984 518 D CA 0.825 54.847 54.000 0.036 0.000 0.834 518 D CB -0.621 40.193 40.800 0.022 0.000 0.955 518 D HN -0.087 nan 8.370 nan 0.000 0.465 519 L N 0.608 121.866 121.223 0.059 0.000 2.027 519 L HA 0.001 4.339 4.340 -0.004 0.000 0.206 519 L C 2.395 179.314 176.870 0.082 0.000 1.074 519 L CA 1.537 56.422 54.840 0.074 0.000 0.745 519 L CB -0.547 41.574 42.059 0.104 0.000 0.898 519 L HN -0.107 nan 8.230 nan 0.000 0.433 520 R N -0.530 120.035 120.500 0.109 0.000 2.070 520 R HA -0.218 4.120 4.340 -0.004 0.000 0.233 520 R C 2.246 178.658 176.300 0.187 0.000 1.137 520 R CA 1.986 58.168 56.100 0.137 0.000 0.945 520 R CB -0.688 29.728 30.300 0.193 0.000 0.845 520 R HN 0.521 nan 8.270 nan 0.000 0.430 521 D N 0.012 120.522 120.400 0.183 0.000 2.149 521 D HA -0.232 4.406 4.640 -0.004 0.000 0.194 521 D C 1.781 178.140 176.300 0.099 0.000 1.001 521 D CA 1.441 55.538 54.000 0.161 0.000 0.849 521 D CB 0.100 40.951 40.800 0.085 0.000 0.939 521 D HN 0.285 nan 8.370 nan 0.000 0.449 522 R N -0.210 120.306 120.500 0.026 0.000 2.093 522 R HA 0.010 4.348 4.340 -0.004 0.000 0.224 522 R C 2.533 178.790 176.300 -0.072 0.000 1.101 522 R CA 0.723 56.773 56.100 -0.082 0.000 0.979 522 R CB -0.434 29.779 30.300 -0.145 0.000 0.877 522 R HN 0.160 nan 8.270 nan 0.000 0.441 523 G N 0.937 109.725 108.800 -0.019 0.000 2.631 523 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.219 523 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.219 523 G C 1.055 175.943 174.900 -0.021 0.000 1.214 523 G CA 1.226 46.282 45.100 -0.074 0.000 0.785 523 G HN 0.291 nan 8.290 nan 0.000 0.596 524 Y N 0.545 120.933 120.300 0.146 0.000 2.040 524 Y HA -0.181 4.367 4.550 -0.003 0.000 0.275 524 Y C 2.934 178.931 175.900 0.162 0.000 1.171 524 Y CA 1.468 59.690 58.100 0.203 0.000 1.123 524 Y CB -0.419 38.123 38.460 0.137 0.000 0.963 524 Y HN 0.123 nan 8.280 nan 0.000 0.493 525 I N -1.140 119.536 120.570 0.177 0.000 2.194 525 I HA -0.386 3.782 4.170 -0.004 0.000 0.246 525 I C 1.667 177.870 176.117 0.143 0.000 1.093 525 I CA 1.616 62.967 61.300 0.086 0.000 1.355 525 I CB -0.515 37.453 38.000 -0.053 0.000 1.046 525 I HN 0.330 nan 8.210 nan 0.000 0.413 526 Y N -1.584 118.780 120.300 0.107 0.000 2.632 526 Y HA -0.211 4.337 4.550 -0.003 0.000 0.301 526 Y C 2.147 178.122 175.900 0.125 0.000 1.172 526 Y CA -0.402 57.745 58.100 0.079 0.000 1.328 526 Y CB -0.008 38.455 38.460 0.005 0.000 1.016 526 Y HN 0.369 nan 8.280 nan 0.000 0.529 527 W N 1.045 122.422 121.300 0.127 0.000 2.576 527 W HA 0.022 4.679 4.660 -0.004 0.000 0.275 527 W C 0.715 177.289 176.519 0.092 0.000 1.241 527 W CA 0.750 58.139 57.345 0.073 0.000 1.328 527 W CB -0.124 29.370 29.460 0.057 0.000 1.092 527 W HN -0.130 nan 8.180 nan 0.000 0.586 528 R N 0.805 121.518 120.500 0.355 0.000 4.031 528 R HA 0.124 4.462 4.340 -0.004 0.000 0.269 528 R C 0.642 177.051 176.300 0.181 0.000 1.668 528 R CA 0.218 56.435 56.100 0.195 0.000 1.432 528 R CB -0.398 29.982 30.300 0.133 0.000 1.374 528 R HN 0.020 nan 8.270 nan 0.000 0.681 529 L N -1.669 119.683 121.223 0.214 0.000 2.249 529 L HA 0.182 4.520 4.340 -0.004 0.000 0.204 529 L C 0.885 177.855 176.870 0.167 0.000 1.135 529 L CA 0.834 55.779 54.840 0.175 0.000 1.070 529 L CB -0.110 42.068 42.059 0.197 0.000 2.194 529 L HN 0.163 nan 8.230 nan 0.000 0.504 530 L N -0.810 120.529 121.223 0.194 0.000 2.633 530 L HA -0.012 4.326 4.340 -0.004 0.000 0.235 530 L C 1.402 178.394 176.870 0.203 0.000 1.163 530 L CA 0.716 55.672 54.840 0.193 0.000 0.859 530 L CB -0.605 41.539 42.059 0.142 0.000 0.973 530 L HN 0.155 nan 8.230 nan 0.000 0.451 531 S N -1.362 114.462 115.700 0.206 0.000 2.572 531 S HA 0.106 4.574 4.470 -0.004 0.000 0.228 531 S C 1.064 175.725 174.600 0.100 0.000 0.963 531 S CA 0.071 58.364 58.200 0.154 0.000 0.939 531 S CB 0.128 63.406 63.200 0.130 0.000 0.804 531 S HN 0.449 nan 8.310 nan 0.000 0.480 532 T N 0.914 115.529 114.554 0.101 0.000 2.614 532 T HA 0.211 4.559 4.350 -0.004 0.000 0.163 532 T C -1.216 173.527 174.700 0.071 0.000 0.806 532 T CA -0.469 61.674 62.100 0.073 0.000 1.020 532 T CB -0.082 68.823 68.868 0.061 0.000 2.539 532 T HN 0.324 nan 8.240 nan 0.000 0.380 533 D N 1.786 122.225 120.400 0.064 0.000 2.481 533 D HA 0.356 4.994 4.640 -0.004 0.000 0.246 533 D C -2.280 174.048 176.300 0.046 0.000 1.109 533 D CA -2.341 51.688 54.000 0.049 0.000 0.845 533 D CB 1.536 42.357 40.800 0.034 0.000 1.160 533 D HN 0.025 nan 8.370 nan 0.000 0.534 534 P HA -0.353 nan 4.420 nan 0.000 0.224 534 P C 1.706 179.010 177.300 0.007 0.000 1.153 534 P CA 1.208 64.312 63.100 0.008 0.000 0.947 534 P CB 0.095 31.784 31.700 -0.019 0.000 0.790 535 V N -0.304 119.614 119.914 0.007 0.000 2.265 535 V HA -0.317 3.801 4.120 -0.004 0.000 0.259 535 V C 2.334 178.438 176.094 0.015 0.000 1.084 535 V CA 3.223 65.528 62.300 0.008 0.000 1.076 535 V CB -2.083 29.747 31.823 0.012 0.000 0.680 535 V HN 0.301 nan 8.190 nan 0.000 0.452 536 T N -1.492 113.078 114.554 0.027 0.000 3.014 536 T HA 0.356 4.704 4.350 -0.004 0.000 0.250 536 T C 1.847 176.574 174.700 0.044 0.000 1.060 536 T CA 0.711 62.832 62.100 0.035 0.000 1.040 536 T CB 0.207 69.099 68.868 0.039 0.000 0.971 536 T HN 0.545 nan 8.240 nan 0.000 0.497 537 A N 3.696 126.544 122.820 0.046 0.000 1.841 537 A HA -0.192 4.126 4.320 -0.004 0.000 0.216 537 A C 2.276 179.874 177.584 0.023 0.000 1.199 537 A CA 2.132 54.199 52.037 0.049 0.000 0.621 537 A CB -0.683 18.349 19.000 0.052 0.000 0.835 537 A HN 0.646 nan 8.150 nan 0.000 0.445 538 K N -0.652 119.748 120.400 0.001 0.000 2.020 538 K HA -0.252 4.066 4.320 -0.004 0.000 0.212 538 K C 1.746 178.346 176.600 -0.000 0.000 1.050 538 K CA 1.954 58.232 56.287 -0.016 0.000 0.929 538 K CB -0.393 32.089 32.500 -0.029 0.000 0.714 538 K HN 0.311 nan 8.250 nan 0.000 0.443 539 E N 0.759 120.965 120.200 0.010 0.000 2.118 539 E HA -0.124 4.224 4.350 -0.004 0.000 0.195 539 E C 1.889 178.505 176.600 0.027 0.000 0.992 539 E CA 1.208 57.617 56.400 0.016 0.000 0.804 539 E CB -0.033 29.678 29.700 0.019 0.000 0.741 539 E HN 0.248 nan 8.360 nan 0.000 0.458 540 V N -0.944 118.994 119.914 0.040 0.000 2.284 540 V HA -0.180 3.938 4.120 -0.004 0.000 0.236 540 V C 2.175 178.308 176.094 0.066 0.000 1.044 540 V CA 1.278 63.614 62.300 0.060 0.000 1.019 540 V CB -0.499 31.371 31.823 0.080 0.000 0.657 540 V HN 0.106 nan 8.190 nan 0.000 0.465 541 V N 0.637 120.592 119.914 0.069 0.000 2.217 541 V HA -0.299 3.819 4.120 -0.004 0.000 0.248 541 V C 2.167 178.276 176.094 0.026 0.000 1.050 541 V CA 2.263 64.597 62.300 0.056 0.000 1.007 541 V CB -0.871 30.942 31.823 -0.016 0.000 0.639 541 V HN 0.456 nan 8.190 nan 0.000 0.452 542 L N 0.880 122.098 121.223 -0.009 0.000 2.622 542 L HA 0.043 4.381 4.340 -0.004 0.000 0.233 542 L C 1.405 178.267 176.870 -0.013 0.000 1.156 542 L CA 0.219 55.041 54.840 -0.030 0.000 0.866 542 L CB -0.756 41.269 42.059 -0.056 0.000 0.980 542 L HN 0.396 nan 8.230 nan 0.000 0.448 543 S N 1.148 116.853 115.700 0.009 0.000 2.571 543 S HA -0.091 4.377 4.470 -0.004 0.000 0.298 543 S C 0.590 175.203 174.600 0.020 0.000 1.280 543 S CA -0.137 58.073 58.200 0.017 0.000 1.052 543 S CB 0.293 63.511 63.200 0.029 0.000 0.799 543 S HN 0.270 nan 8.310 nan 0.000 0.501 544 E N 3.051 123.263 120.200 0.021 0.000 2.344 544 E HA 0.120 4.468 4.350 -0.004 0.000 0.270 544 E C -0.402 176.222 176.600 0.041 0.000 1.021 544 E CA 0.262 56.679 56.400 0.029 0.000 0.887 544 E CB 0.570 30.288 29.700 0.029 0.000 0.997 544 E HN 0.470 nan 8.360 nan 0.000 0.429 545 K N 3.880 124.313 120.400 0.054 0.000 2.394 545 K HA 0.335 4.653 4.320 -0.004 0.000 0.260 545 K C -2.283 174.351 176.600 0.057 0.000 0.967 545 K CA -1.719 54.603 56.287 0.058 0.000 0.855 545 K CB 1.269 33.815 32.500 0.076 0.000 1.101 545 K HN 0.275 nan 8.250 nan 0.000 0.433 546 P HA -0.102 nan 4.420 nan 0.000 0.271 546 P C 0.016 177.337 177.300 0.034 0.000 1.212 546 P CA 0.034 63.156 63.100 0.037 0.000 0.788 546 P CB 0.526 32.243 31.700 0.027 0.000 0.865 547 L N 0.338 121.579 121.223 0.029 0.000 2.776 547 L HA 0.225 4.563 4.340 -0.004 0.000 0.165 547 L C 1.728 178.591 176.870 -0.011 0.000 1.145 547 L CA -0.169 54.679 54.840 0.013 0.000 1.230 547 L CB -0.280 41.789 42.059 0.016 0.000 2.044 547 L HN 0.336 nan 8.230 nan 0.000 0.484 548 I N -1.964 118.584 120.570 -0.036 0.000 3.809 548 I HA 0.111 4.279 4.170 -0.004 0.000 0.245 548 I C -0.079 176.017 176.117 -0.034 0.000 1.119 548 I CA 0.367 61.641 61.300 -0.044 0.000 1.597 548 I CB 0.189 38.146 38.000 -0.072 0.000 1.605 548 I HN 0.688 nan 8.210 nan 0.000 0.441 549 S N 2.227 117.900 115.700 -0.045 0.000 2.881 549 S HA -0.126 4.342 4.470 -0.004 0.000 0.852 549 S C 0.005 174.596 174.600 -0.015 0.000 0.877 549 S CA 0.193 58.381 58.200 -0.021 0.000 1.464 549 S CB -1.595 61.606 63.200 0.001 0.000 1.049 549 S HN 0.627 nan 8.310 nan 0.000 0.322 550 E N 0.293 120.487 120.200 -0.009 0.000 2.360 550 E HA -0.251 4.096 4.350 -0.004 0.000 0.238 550 E C 0.875 177.471 176.600 -0.007 0.000 1.186 550 E CA 1.545 57.945 56.400 -0.001 0.000 0.719 550 E CB -1.014 28.693 29.700 0.011 0.000 1.236 550 E HN 0.951 nan 8.360 nan 0.000 0.386 551 E N -1.725 118.463 120.200 -0.018 0.000 2.555 551 E HA -0.038 4.310 4.350 -0.004 0.000 0.209 551 E C 0.421 177.005 176.600 -0.026 0.000 0.847 551 E CA 0.726 57.113 56.400 -0.021 0.000 1.438 551 E CB -0.507 29.176 29.700 -0.028 0.000 1.420 551 E HN 0.299 nan 8.360 nan 0.000 0.755 552 T N 3.053 117.587 114.554 -0.033 0.000 2.452 552 T HA -0.191 4.157 4.350 -0.004 0.000 0.437 552 T C -0.510 174.173 174.700 -0.029 0.000 1.090 552 T CA 1.013 63.091 62.100 -0.035 0.000 3.910 552 T CB -1.656 67.193 68.868 -0.031 0.000 0.584 552 T HN 0.265 nan 8.240 nan 0.000 0.203 553 D N 0.068 120.449 120.400 -0.032 0.000 2.697 553 D HA -0.163 4.474 4.640 -0.004 0.000 0.238 553 D C 0.452 176.744 176.300 -0.013 0.000 1.152 553 D CA 0.797 54.781 54.000 -0.025 0.000 0.666 553 D CB -1.576 39.207 40.800 -0.028 0.000 1.037 553 D HN 0.803 nan 8.370 nan 0.000 0.423 554 L N -0.504 120.714 121.223 -0.010 0.000 2.468 554 L HA 0.338 4.676 4.340 -0.004 0.000 0.253 554 L C 1.052 177.930 176.870 0.014 0.000 1.237 554 L CA -0.314 54.527 54.840 0.002 0.000 0.823 554 L CB 0.425 42.483 42.059 -0.002 0.000 1.124 554 L HN 0.157 nan 8.230 nan 0.000 0.504 555 I N 0.357 120.943 120.570 0.026 0.000 2.577 555 I HA 0.143 4.311 4.170 -0.004 0.000 0.305 555 I C 0.120 176.250 176.117 0.021 0.000 0.986 555 I CA -0.429 60.893 61.300 0.037 0.000 1.189 555 I CB 1.389 39.431 38.000 0.069 0.000 1.355 555 I HN 0.496 nan 8.210 nan 0.000 0.476 556 E N 7.605 127.817 120.200 0.020 0.000 2.558 556 E HA -0.031 4.316 4.350 -0.004 0.000 0.255 556 E C -1.895 174.711 176.600 0.010 0.000 0.968 556 E CA -1.142 55.265 56.400 0.012 0.000 0.939 556 E CB 0.889 30.596 29.700 0.013 0.000 0.921 556 E HN 0.274 nan 8.360 nan 0.000 0.477 557 P HA -0.203 nan 4.420 nan 0.000 0.216 557 P C 1.093 178.394 177.300 0.001 0.000 1.167 557 P CA 2.044 65.145 63.100 0.002 0.000 0.914 557 P CB -0.052 31.649 31.700 0.002 0.000 0.793 558 T N 0.137 114.693 114.554 0.003 0.000 2.737 558 T HA -0.117 4.231 4.350 -0.004 0.000 0.265 558 T C 1.802 176.506 174.700 0.006 0.000 1.038 558 T CA 0.830 62.931 62.100 0.002 0.000 1.144 558 T CB -1.133 67.737 68.868 0.003 0.000 0.866 558 T HN -0.057 nan 8.240 nan 0.000 0.434 559 L N 1.582 122.812 121.223 0.011 0.000 1.997 559 L HA -0.163 4.175 4.340 -0.004 0.000 0.227 559 L C 2.262 179.141 176.870 0.014 0.000 1.087 559 L CA 1.782 56.633 54.840 0.019 0.000 0.797 559 L CB -1.282 40.791 42.059 0.025 0.000 0.902 559 L HN 0.224 nan 8.230 nan 0.000 0.441 560 L N -0.105 121.120 121.223 0.004 0.000 1.978 560 L HA -0.295 4.043 4.340 -0.004 0.000 0.218 560 L C 2.265 179.124 176.870 -0.019 0.000 1.075 560 L CA 2.383 57.215 54.840 -0.013 0.000 0.767 560 L CB -1.586 40.465 42.059 -0.013 0.000 0.890 560 L HN 0.443 nan 8.230 nan 0.000 0.434 561 D N -0.447 119.945 120.400 -0.014 0.000 2.191 561 D HA -0.273 4.365 4.640 -0.004 0.000 0.195 561 D C 2.109 178.393 176.300 -0.028 0.000 1.003 561 D CA 1.754 55.740 54.000 -0.023 0.000 0.867 561 D CB 0.003 40.792 40.800 -0.018 0.000 0.926 561 D HN 0.654 nan 8.370 nan 0.000 0.450 562 E N -0.251 119.947 120.200 -0.003 0.000 2.318 562 E HA 0.002 4.350 4.350 -0.004 0.000 0.193 562 E C 2.218 178.867 176.600 0.081 0.000 0.998 562 E CA -0.114 56.300 56.400 0.023 0.000 0.859 562 E CB 0.198 29.931 29.700 0.056 0.000 0.812 562 E HN 0.241 nan 8.360 nan 0.000 0.492 563 L N 0.781 122.032 121.223 0.048 0.000 2.240 563 L HA -0.111 4.227 4.340 -0.004 0.000 0.211 563 L C 2.177 179.044 176.870 -0.005 0.000 1.106 563 L CA 0.035 54.904 54.840 0.049 0.000 0.793 563 L CB -0.164 41.871 42.059 -0.041 0.000 0.927 563 L HN 0.240 nan 8.230 nan 0.000 0.446 564 I N 0.395 120.936 120.570 -0.047 0.000 2.151 564 I HA -0.333 3.835 4.170 -0.004 0.000 0.243 564 I C 2.556 178.609 176.117 -0.106 0.000 1.080 564 I CA 1.434 62.687 61.300 -0.078 0.000 1.339 564 I CB -1.328 36.622 38.000 -0.083 0.000 1.039 564 I HN 0.406 nan 8.210 nan 0.000 0.409 565 C N -0.786 118.425 119.300 -0.148 0.000 2.430 565 C HA -0.106 4.351 4.460 -0.004 0.000 0.288 565 C C 1.369 176.119 174.990 -0.399 0.000 1.448 565 C CA 0.060 58.904 59.018 -0.290 0.000 1.784 565 C CB -2.288 25.230 27.740 -0.371 0.000 1.776 565 C HN 0.439 nan 8.230 nan 0.000 0.547 566 H N -0.840 118.203 119.070 -0.045 0.000 2.355 566 H HA 0.380 4.934 4.556 -0.003 0.000 0.232 566 H C 1.054 176.366 175.328 -0.027 0.000 1.422 566 H CA -0.360 55.675 56.048 -0.022 0.000 1.261 566 H CB 0.152 29.914 29.762 -0.001 0.000 1.595 566 H HN 0.284 nan 8.280 nan 0.000 0.529 567 I N -0.143 120.449 120.570 0.037 0.000 2.260 567 I HA -0.043 4.125 4.170 -0.004 0.000 0.237 567 I C 2.618 178.745 176.117 0.016 0.000 1.075 567 I CA 1.149 62.448 61.300 -0.001 0.000 1.376 567 I CB -0.071 37.910 38.000 -0.031 0.000 1.107 567 I HN 0.615 nan 8.210 nan 0.000 0.420 568 G N 0.305 109.123 108.800 0.030 0.000 2.442 568 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.219 568 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.219 568 G C 0.900 175.829 174.900 0.047 0.000 1.141 568 G CA 0.876 45.998 45.100 0.037 0.000 0.763 568 G HN 0.488 nan 8.290 nan 0.000 0.554 569 S N 0.153 115.902 115.700 0.083 0.000 2.603 569 S HA 0.358 4.826 4.470 -0.004 0.000 0.268 569 S C 1.410 176.060 174.600 0.083 0.000 1.317 569 S CA -0.845 57.418 58.200 0.106 0.000 1.012 569 S CB 1.289 64.586 63.200 0.162 0.000 0.926 569 S HN -0.051 nan 8.310 nan 0.000 0.539 570 L N 1.316 122.596 121.223 0.094 0.000 2.151 570 L HA -0.225 4.113 4.340 -0.004 0.000 0.215 570 L C 2.943 179.872 176.870 0.098 0.000 1.084 570 L CA 2.260 57.092 54.840 -0.014 0.000 0.764 570 L CB -2.512 39.602 42.059 0.092 0.000 0.891 570 L HN 1.014 nan 8.230 nan 0.000 0.435 571 A N 0.684 123.681 122.820 0.294 0.000 1.882 571 A HA -0.363 3.955 4.320 -0.004 0.000 0.220 571 A C 2.531 180.214 177.584 0.164 0.000 1.253 571 A CA 3.364 55.587 52.037 0.311 0.000 0.664 571 A CB -1.113 17.938 19.000 0.085 0.000 0.838 571 A HN 0.613 nan 8.150 nan 0.000 0.460 572 S N -0.193 115.544 115.700 0.060 0.000 2.380 572 S HA -0.262 4.206 4.470 -0.004 0.000 0.229 572 S C 1.762 176.376 174.600 0.025 0.000 1.050 572 S CA 2.304 60.474 58.200 -0.051 0.000 1.100 572 S CB -1.630 61.534 63.200 -0.060 0.000 0.984 572 S HN 0.594 nan 8.310 nan 0.000 0.434 573 V N 0.606 120.481 119.914 -0.065 0.000 2.250 573 V HA -0.228 3.890 4.120 -0.004 0.000 0.250 573 V C 2.461 178.515 176.094 -0.065 0.000 1.060 573 V CA 2.262 64.456 62.300 -0.177 0.000 1.030 573 V CB -1.380 30.211 31.823 -0.388 0.000 0.643 573 V HN 0.505 nan 8.190 nan 0.000 0.445 574 Y N -1.128 119.186 120.300 0.025 0.000 2.457 574 Y HA 0.163 4.711 4.550 -0.003 0.000 0.292 574 Y C 1.282 177.250 175.900 0.112 0.000 1.125 574 Y CA 0.104 58.187 58.100 -0.029 0.000 1.254 574 Y CB -0.772 37.547 38.460 -0.234 0.000 1.012 574 Y HN 0.444 nan 8.280 nan 0.000 0.555 575 H N 0.911 120.049 119.070 0.114 0.000 2.841 575 H HA -0.143 4.411 4.556 -0.004 0.000 0.334 575 H C -0.794 174.599 175.328 0.108 0.000 1.119 575 H CA 0.411 56.507 56.048 0.081 0.000 1.109 575 H CB -1.170 28.613 29.762 0.037 0.000 1.614 575 H HN 0.208 nan 8.280 nan 0.000 0.397 576 K N 0.427 120.971 120.400 0.239 0.000 2.589 576 K HA 0.234 4.552 4.320 -0.004 0.000 0.265 576 K C -2.825 173.906 176.600 0.218 0.000 0.935 576 K CA -1.500 54.916 56.287 0.216 0.000 0.850 576 K CB 2.306 34.953 32.500 0.245 0.000 1.372 576 K HN 0.010 nan 8.250 nan 0.000 0.420 577 P HA 0.124 nan 4.420 nan 0.000 0.273 577 P C -1.896 175.298 177.300 -0.177 0.000 1.250 577 P CA -0.853 62.228 63.100 -0.031 0.000 0.793 577 P CB -0.047 31.634 31.700 -0.032 0.000 1.011 578 P HA -0.084 nan 4.420 nan 0.000 0.234 578 P C 0.601 177.438 177.300 -0.771 0.000 1.167 578 P CA 0.988 63.592 63.100 -0.827 0.000 0.763 578 P CB -0.164 31.163 31.700 -0.622 0.000 0.835 579 N N 0.199 118.680 118.700 -0.365 0.000 2.461 579 N HA 0.037 4.775 4.740 -0.004 0.000 0.188 579 N C 1.111 176.556 175.510 -0.107 0.000 1.134 579 N CA 0.368 53.282 53.050 -0.226 0.000 0.878 579 N CB -0.143 38.263 38.487 -0.134 0.000 0.972 579 N HN 0.126 nan 8.380 nan 0.000 0.456 580 A N 0.438 123.267 122.820 0.015 0.000 2.684 580 A HA 0.311 4.629 4.320 -0.004 0.000 0.288 580 A C -0.387 177.409 177.584 0.353 0.000 1.337 580 A CA -0.532 51.586 52.037 0.135 0.000 0.946 580 A CB -1.039 18.022 19.000 0.101 0.000 1.093 580 A HN 0.255 nan 8.150 nan 0.000 0.543 581 F N -2.280 117.614 119.950 -0.094 0.000 3.282 581 F HA 0.575 5.100 4.527 -0.004 0.000 0.398 581 F C -0.924 174.847 175.800 -0.049 0.000 1.205 581 F CA -1.011 56.937 58.000 -0.085 0.000 1.273 581 F CB -0.134 38.795 39.000 -0.118 0.000 2.153 581 F HN -0.168 nan 8.300 nan 0.000 0.680 582 V N 0.000 119.892 119.914 -0.037 0.000 2.409 582 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 582 V CA 0.000 62.270 62.300 -0.051 0.000 1.235 582 V CB 0.000 31.790 31.823 -0.056 0.000 1.184 582 V HN 0.000 nan 8.190 nan 0.000 0.556